smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC1(CNC(=O)c2cccc(OC(F)F)c2)CCCC1 ZINC000218181778 201533580 /nfs/dbraw/zinc/53/35/80/201533580.db2.gz PPOASMXMKBGTOA-UHFFFAOYSA-N 0 0 313.344 3.225 50 70 DGIARN CCOC(=O)C[C@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000160397838 197405797 /nfs/dbraw/zinc/40/57/97/197405797.db2.gz UVBVBINSYNBQAX-VIFPVBQESA-N 0 0 309.749 3.158 50 70 DGIARN COc1cc(Cl)ccc1C(=O)N[C@H](c1nccn1C)C(C)C ZINC000218664984 432660182 /nfs/dbraw/zinc/66/01/82/432660182.db2.gz CJRVZIZVOFZFJV-AWEZNQCLSA-N 0 0 321.808 3.209 50 70 DGIARN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCCCCC1 ZINC000160776111 432740335 /nfs/dbraw/zinc/74/03/35/432740335.db2.gz JKLNJWIWMPGNDF-IAGOWNOFSA-N 0 0 302.418 3.492 50 70 DGIARN Cc1nnc(CCNC(=O)c2cc3ccccc3s2)s1 ZINC000217681051 201522905 /nfs/dbraw/zinc/52/29/05/201522905.db2.gz PTLOSJQWDIGPGM-UHFFFAOYSA-N 0 0 303.412 3.034 50 70 DGIARN Cc1cccc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)c1C ZINC000159452038 197355542 /nfs/dbraw/zinc/35/55/42/197355542.db2.gz QOJFDXJJKCUCGZ-UHFFFAOYSA-N 0 0 324.302 3.280 50 70 DGIARN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000159588014 400730094 /nfs/dbraw/zinc/73/00/94/400730094.db2.gz OGHJELWKUVAFID-OAHLLOKOSA-N 0 0 318.421 3.167 50 70 DGIARN CC(=O)Nc1ccc(N[C@@H](C)CCn2cccn2)c(Cl)c1 ZINC000159488601 400730164 /nfs/dbraw/zinc/73/01/64/400730164.db2.gz FOSCBMKZVYXDSX-NSHDSACASA-N 0 0 306.797 3.386 50 70 DGIARN COc1cccc(Cl)c1CC(=O)NCc1nc(C)sc1C ZINC000160814489 400736676 /nfs/dbraw/zinc/73/66/76/400736676.db2.gz LEZDJIAMGFEPIE-UHFFFAOYSA-N 0 0 324.833 3.281 50 70 DGIARN CN(OCc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000161122861 400739175 /nfs/dbraw/zinc/73/91/75/400739175.db2.gz MHFNPUZJJQKNQZ-QFIPXVFZSA-N 0 0 318.398 3.020 50 70 DGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(N(C)C)c1 ZINC000217644501 400951109 /nfs/dbraw/zinc/95/11/09/400951109.db2.gz ACQJHYVJSOIMLU-XYPWUTKMSA-N 0 0 304.459 3.251 50 70 DGIARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2cc3c(cc2O1)OCO3 ZINC000217814142 280271286 /nfs/dbraw/zinc/27/12/86/280271286.db2.gz SNDKWYAIDKEIIE-CYBMUJFWSA-N 0 0 322.316 3.284 50 70 biogenic DGIARN CC[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1nc(C)c[nH]1 ZINC000217002276 432652147 /nfs/dbraw/zinc/65/21/47/432652147.db2.gz HVVIPHOGSYDAOC-INIZCTEOSA-N 0 0 312.417 3.199 50 70 DGIARN CCCc1cc(CN(C)C(=O)c2cc3ccccc3cc2O)[nH]n1 ZINC000217059508 432654666 /nfs/dbraw/zinc/65/46/66/432654666.db2.gz ORQOSPTXJIPKLJ-UHFFFAOYSA-N 0 0 323.396 3.493 50 70 DGIARN CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C1 ZINC000218509074 432658604 /nfs/dbraw/zinc/65/86/04/432658604.db2.gz MVJKVXPYVPIGHF-BYCMXARLSA-N 0 0 307.821 3.037 50 70 DGIARN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000160947740 432751118 /nfs/dbraw/zinc/75/11/18/432751118.db2.gz FDIARICDPCCCHU-LLVKDONJSA-N 0 0 315.335 3.384 50 70 DGIARN O=C(C(=O)N1CCCC[C@@H]1c1ccc(F)cc1)c1ccco1 ZINC000216935537 295414126 /nfs/dbraw/zinc/41/41/26/295414126.db2.gz FXJUHTHEMPUBAA-CQSZACIVSA-N 0 0 301.317 3.355 50 70 DGIARN Cc1nc(CCCNC(=O)CCc2ccc(O)cc2)sc1C ZINC000218540936 333393657 /nfs/dbraw/zinc/39/36/57/333393657.db2.gz GEJSLVUYZUTYBA-UHFFFAOYSA-N 0 0 318.442 3.147 50 70 DGIARN O=C(NCCSC1CCOCC1)c1ccc(F)cc1Cl ZINC000217700816 201522708 /nfs/dbraw/zinc/52/27/08/201522708.db2.gz AUCKATQTMMNJGE-UHFFFAOYSA-N 0 0 317.813 3.121 50 70 DGIARN Cc1ncsc1CCNC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000217792652 201524678 /nfs/dbraw/zinc/52/46/78/201524678.db2.gz GTTSNUHHGDWZGN-AWEZNQCLSA-N 0 0 318.442 3.195 50 70 DGIARN Cc1nnc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000161159736 197470485 /nfs/dbraw/zinc/47/04/85/197470485.db2.gz JFFDKQXKQWYXLA-KBPBESRZSA-N 0 0 307.394 3.078 50 70 DGIARN Cc1ccccc1O[C@H](C(=O)NCCc1ccncc1)C(C)C ZINC000216991814 432652198 /nfs/dbraw/zinc/65/21/98/432652198.db2.gz GMRVIEIDXDPSPG-SFHVURJKSA-N 0 0 312.413 3.152 50 70 DGIARN O=C(NCCn1ccc(-c2ccsc2)n1)Nc1ccccc1 ZINC000217889815 432656586 /nfs/dbraw/zinc/65/65/86/432656586.db2.gz PXBCEKVGAOADEP-UHFFFAOYSA-N 0 0 312.398 3.433 50 70 DGIARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)C(=O)c3ccco3)nc2c1 ZINC000217914920 432657363 /nfs/dbraw/zinc/65/73/63/432657363.db2.gz ZPOHTGPSFBKJDG-CQSZACIVSA-N 0 0 323.352 3.011 50 70 DGIARN C[C@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2o1 ZINC000217983568 432657531 /nfs/dbraw/zinc/65/75/31/432657531.db2.gz PNHCDBTUIDJTOJ-INIZCTEOSA-N 0 0 301.367 3.132 50 70 DGIARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H](c2ccncn2)C1 ZINC000218146187 432657988 /nfs/dbraw/zinc/65/79/88/432657988.db2.gz YPHMVJWMYYIPNW-GOSISDBHSA-N 0 0 321.424 3.375 50 70 DGIARN Cc1nc([C@@H](C)NC(=O)C[NH+]2CCCCCCC2)c(C)s1 ZINC000218109930 432658625 /nfs/dbraw/zinc/65/86/25/432658625.db2.gz YPXSQUCIPXTLNZ-GFCCVEGCSA-N 0 0 309.479 3.203 50 70 DGIARN CO[C@@H](CNC(=O)/C=C/c1ccoc1)c1ccccc1Cl ZINC000218327911 432658853 /nfs/dbraw/zinc/65/88/53/432658853.db2.gz DZFLGKDSDAFMBY-LFAOLKIESA-N 0 0 305.761 3.450 50 70 DGIARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(Cl)cc1 ZINC000218727365 432660483 /nfs/dbraw/zinc/66/04/83/432660483.db2.gz SIWYTDFRSJBIHB-UHFFFAOYSA-N 0 0 305.809 3.385 50 70 DGIARN CSc1ncc(C(=O)N2CCc3c(Cl)cccc3C2)cn1 ZINC000218632248 432660579 /nfs/dbraw/zinc/66/05/79/432660579.db2.gz UITIKKZRCJGBOB-UHFFFAOYSA-N 0 0 319.817 3.050 50 70 DGIARN Cc1cc(N(CCCO)CC(C)(C)C)nc(-c2ccncc2)n1 ZINC000161287020 292832591 /nfs/dbraw/zinc/83/25/91/292832591.db2.gz MKYVZEITIABDFN-UHFFFAOYSA-N 0 0 314.433 3.082 50 70 DGIARN O=C(c1ccsc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654133 201520875 /nfs/dbraw/zinc/52/08/75/201520875.db2.gz HMTVYWCNGQKYCJ-HNNXBMFYSA-N 0 0 324.409 3.094 50 70 DGIARN CSc1ncccc1C(=O)N[C@H]1CCCc2sc(C)nc21 ZINC000218261226 201535941 /nfs/dbraw/zinc/53/59/41/201535941.db2.gz HVTZPUXAEGFALA-NSHDSACASA-N 0 0 319.455 3.376 50 70 DGIARN Cc1cc(C[C@H](C)NC(=O)Nc2cccc3ccc(C)nc32)[nH]n1 ZINC000159777602 197363363 /nfs/dbraw/zinc/36/33/63/197363363.db2.gz WOSAGTQDLDNLAL-LBPRGKRZSA-N 0 0 323.400 3.327 50 70 DGIARN CC(=O)Nc1ccc(N[C@H](C)CCn2cccn2)c(Cl)c1 ZINC000159488721 400730014 /nfs/dbraw/zinc/73/00/14/400730014.db2.gz FOSCBMKZVYXDSX-LLVKDONJSA-N 0 0 306.797 3.386 50 70 DGIARN CCOc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1 ZINC000217546275 432656292 /nfs/dbraw/zinc/65/62/92/432656292.db2.gz RUKNWLSSOVWECR-HNNXBMFYSA-N 0 0 320.414 3.392 50 70 DGIARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H](c2ccncn2)C1 ZINC000218146272 432659234 /nfs/dbraw/zinc/65/92/34/432659234.db2.gz YPHMVJWMYYIPNW-SFHVURJKSA-N 0 0 321.424 3.375 50 70 DGIARN CC1(C)C[C@@]1(C(=O)NCCc1ccncc1)c1cccs1 ZINC000217032301 201510337 /nfs/dbraw/zinc/51/03/37/201510337.db2.gz WOHCCJRDDWEIOL-KRWDZBQOSA-N 0 0 300.427 3.170 50 70 DGIARN Cc1ccc2[nH]c([C@@H](NC(=O)Cc3ccccn3)C(C)C)nc2c1 ZINC000217071054 432655036 /nfs/dbraw/zinc/65/50/36/432655036.db2.gz QFZIXDZCYIFEPU-SFHVURJKSA-N 0 0 322.412 3.322 50 70 DGIARN CC[C@H](C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1 ZINC000217528100 432656028 /nfs/dbraw/zinc/65/60/28/432656028.db2.gz IHJOBUPLNDBMBP-JKSUJKDBSA-N 0 0 303.427 3.482 50 70 DGIARN CCOc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)o1 ZINC000217372810 201515589 /nfs/dbraw/zinc/51/55/89/201515589.db2.gz FITUQUITHLYQTE-CQSZACIVSA-N 0 0 300.358 3.441 50 70 DGIARN O=C(NCC[C@@H](O)c1ccsc1)c1nc2ccccc2s1 ZINC000217529933 201518928 /nfs/dbraw/zinc/51/89/28/201518928.db2.gz YWWRLINLMMQGGR-GFCCVEGCSA-N 0 0 318.423 3.211 50 70 DGIARN CC1=CC[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2C1 ZINC000218066101 201531200 /nfs/dbraw/zinc/53/12/00/201531200.db2.gz BUFFFLNLGLLFQE-CABCVRRESA-N 0 0 309.413 3.310 50 70 DGIARN Cc1cc2c(c(=O)o1)[C@H](c1c(F)cccc1Cl)CC(=O)O2 ZINC000218480207 292000902 /nfs/dbraw/zinc/00/09/02/292000902.db2.gz VDDHPJJIUVHEJG-QMMMGPOBSA-N 0 0 308.692 3.182 50 70 DGIARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000216975693 432652445 /nfs/dbraw/zinc/65/24/45/432652445.db2.gz MJMZPSOFHJZUOB-HNNXBMFYSA-N 0 0 301.365 3.153 50 70 DGIARN Cn1cc(C(=O)NC[C@H]2OCCc3ccccc32)c2ccccc21 ZINC000217389028 432655078 /nfs/dbraw/zinc/65/50/78/432655078.db2.gz IWVCZJHZMWJZOE-LJQANCHMSA-N 0 0 320.392 3.222 50 70 DGIARN Cc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)c(C)o1 ZINC000217886156 432656322 /nfs/dbraw/zinc/65/63/22/432656322.db2.gz UAYVSHRXHCJXQG-UHFFFAOYSA-N 0 0 315.398 3.251 50 70 DGIARN O=C(NCC[C@@H](O)c1ccsc1)c1c(F)cccc1Cl ZINC000217529379 432656421 /nfs/dbraw/zinc/65/64/21/432656421.db2.gz DXBGOWOOMKTIQC-GFCCVEGCSA-N 0 0 313.781 3.394 50 70 DGIARN O=C(NCC[C@H](O)c1ccsc1)c1nc2ccccc2s1 ZINC000217529845 432656688 /nfs/dbraw/zinc/65/66/88/432656688.db2.gz YWWRLINLMMQGGR-LBPRGKRZSA-N 0 0 318.423 3.211 50 70 DGIARN O=C([C@H]1CC=CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217657964 432656795 /nfs/dbraw/zinc/65/67/95/432656795.db2.gz JPNHCSPTZHIAPW-DLBZAZTESA-N 0 0 322.412 3.075 50 70 DGIARN O=C(CCc1ccc(O)cc1)NCc1ccc2ccccc2n1 ZINC000217888418 432657277 /nfs/dbraw/zinc/65/72/77/432657277.db2.gz QWRPGVDSRDFXOR-UHFFFAOYSA-N 0 0 306.365 3.189 50 70 DGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2[nH]1 ZINC000218198028 432657633 /nfs/dbraw/zinc/65/76/33/432657633.db2.gz OYZZDZMXGXBYRH-UHFFFAOYSA-N 0 0 324.384 3.043 50 70 DGIARN OC1CC(c2cc(NCCSC3CCCCC3)ncn2)C1 ZINC000218500185 432658463 /nfs/dbraw/zinc/65/84/63/432658463.db2.gz LLPUUYZRTLMMDR-UHFFFAOYSA-N 0 0 307.463 3.193 50 70 DGIARN Cc1nnc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000161159625 432762831 /nfs/dbraw/zinc/76/28/31/432762831.db2.gz JFFDKQXKQWYXLA-KGLIPLIRSA-N 0 0 307.394 3.078 50 70 DGIARN Cc1cc(Cl)ccc1C(=O)N(CCC(N)=O)c1ccccc1 ZINC000160358389 524878984 /nfs/dbraw/zinc/87/89/84/524878984.db2.gz PIXXGXHUAMLQPC-UHFFFAOYSA-N 0 0 316.788 3.171 50 70 DGIARN Cn1cc(C(=O)NC[C@@H]2OCCc3ccccc32)c2ccccc21 ZINC000217388955 201515722 /nfs/dbraw/zinc/51/57/22/201515722.db2.gz IWVCZJHZMWJZOE-IBGZPJMESA-N 0 0 320.392 3.222 50 70 DGIARN Cc1csc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 ZINC000217984149 201530196 /nfs/dbraw/zinc/53/01/96/201530196.db2.gz LCNYJWZAOFVHTL-QGZVFWFLSA-N 0 0 315.394 3.440 50 70 DGIARN CON(Cc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000161129958 400738897 /nfs/dbraw/zinc/73/88/97/400738897.db2.gz ACLSFZTVRSHYFX-QFIPXVFZSA-N 0 0 318.398 3.020 50 70 DGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)OCO2 ZINC000217718446 400950566 /nfs/dbraw/zinc/95/05/66/400950566.db2.gz OOODLVHUPIMLDF-FUNVUKJBSA-N 0 0 320.414 3.306 50 70 DGIARN Cc1ccccc1O[C@@H](C(=O)NCCc1ccncc1)C(C)C ZINC000216991800 432653269 /nfs/dbraw/zinc/65/32/69/432653269.db2.gz GMRVIEIDXDPSPG-GOSISDBHSA-N 0 0 312.413 3.152 50 70 DGIARN Cc1nc2cc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc2[nH]1 ZINC000217442083 432655749 /nfs/dbraw/zinc/65/57/49/432655749.db2.gz SMPFHYFLCDZWOV-JKSUJKDBSA-N 0 0 305.381 3.291 50 70 DGIARN Cn1c(=O)cc(C(=O)N2CCC[C@H]2c2ccco2)c2ccccc21 ZINC000217729139 432656874 /nfs/dbraw/zinc/65/68/74/432656874.db2.gz WFIYLGWEWPSQKW-INIZCTEOSA-N 0 0 322.364 3.109 50 70 DGIARN CCNc1nc(C)c(C(=O)N[C@@H](C)c2csc(C)n2)s1 ZINC000217609202 432657219 /nfs/dbraw/zinc/65/72/19/432657219.db2.gz LPCQHUCRZSYWJH-ZETCQYMHSA-N 0 0 310.448 3.139 50 70 DGIARN CN(C)c1nc(CNC(=O)c2csc3c2CCCC3)cs1 ZINC000218167813 432658214 /nfs/dbraw/zinc/65/82/14/432658214.db2.gz AGGQKKKGYNMHLL-UHFFFAOYSA-N 0 0 321.471 3.079 50 70 DGIARN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCCCCC1 ZINC000160776360 432741200 /nfs/dbraw/zinc/74/12/00/432741200.db2.gz JKLNJWIWMPGNDF-DLBZAZTESA-N 0 0 302.418 3.492 50 70 DGIARN CC(C)Cc1cc(C(=O)N[C@H](CO)C(C)C)c2ccccc2n1 ZINC000217696897 201521662 /nfs/dbraw/zinc/52/16/62/201521662.db2.gz MAVZNMDSEBGBPB-GOSISDBHSA-N 0 0 314.429 3.180 50 70 biogenic DGIARN COc1ccc(CC(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000218025728 201530201 /nfs/dbraw/zinc/53/02/01/201530201.db2.gz YSHARLAKBBOPTE-SFHVURJKSA-N 0 0 310.397 3.387 50 70 biogenic DGIARN COc1cc(Cl)ccc1C(=O)N[C@H](C)Cc1cccnc1 ZINC000217736324 432655787 /nfs/dbraw/zinc/65/57/87/432655787.db2.gz CPSARZUBSWTTNY-LLVKDONJSA-N 0 0 304.777 3.105 50 70 DGIARN Cc1ccc(Cc2ccccc2C(=O)NCc2ncc[nH]2)cc1F ZINC000217873879 432657385 /nfs/dbraw/zinc/65/73/85/432657385.db2.gz QBAJBJZQQUORES-UHFFFAOYSA-N 0 0 323.371 3.378 50 70 DGIARN O=C(Cc1c[nH]c2ccccc12)NCc1[nH]nc2c1CCCCC2 ZINC000218290707 432658130 /nfs/dbraw/zinc/65/81/30/432658130.db2.gz DBRLEBLWVANJQK-UHFFFAOYSA-N 0 0 322.412 3.019 50 70 DGIARN COc1cc(Cl)ccc1C(=O)N[C@@H](c1nccn1C)C(C)C ZINC000218664909 432659720 /nfs/dbraw/zinc/65/97/20/432659720.db2.gz CJRVZIZVOFZFJV-CQSZACIVSA-N 0 0 321.808 3.209 50 70 DGIARN Cc1cc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)cc(C)n1 ZINC000218305709 301148959 /nfs/dbraw/zinc/14/89/59/301148959.db2.gz HKRKTVHCMPDFPL-MLHJIOFPSA-N 0 0 314.429 3.022 50 70 DGIARN Cc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1O ZINC000218158102 301540570 /nfs/dbraw/zinc/54/05/70/301540570.db2.gz JSVZUMGTKWUGFU-KGLIPLIRSA-N 0 0 315.335 3.389 50 70 DGIARN O=C(/C=C/c1ccccc1)NCCn1ccc(-c2ccsc2)n1 ZINC000217884889 201527333 /nfs/dbraw/zinc/52/73/33/201527333.db2.gz BLJXYADJWDYCRA-VOTSOKGWSA-N 0 0 323.421 3.441 50 70 DGIARN C[C@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 ZINC000217983772 201530609 /nfs/dbraw/zinc/53/06/09/201530609.db2.gz LLRCPNMHLACHGO-BLGFXRMMSA-N 0 0 311.337 3.063 50 70 DGIARN CCC[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1nccn1C ZINC000218768571 201543060 /nfs/dbraw/zinc/54/30/60/201543060.db2.gz RJPVMQHPKVLLJR-OAHLLOKOSA-N 0 0 321.371 3.289 50 70 DGIARN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000159462956 197355221 /nfs/dbraw/zinc/35/52/21/197355221.db2.gz YSGCNQFVYUXBOV-DGCLKSJQSA-N 0 0 314.838 3.078 50 70 DGIARN CCC[C@@H]1CN(C(=O)NCC(C)(C)c2ccccc2)CCO1 ZINC000159655923 400729750 /nfs/dbraw/zinc/72/97/50/400729750.db2.gz YIVKWNQDWUTITI-MRXNPFEDSA-N 0 0 304.434 3.175 50 70 DGIARN Cc1nnc([C@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH]1 ZINC000217375326 432654397 /nfs/dbraw/zinc/65/43/97/432654397.db2.gz GECPFCDTSSDJCQ-GFCCVEGCSA-N 0 0 312.398 3.305 50 70 DGIARN O=C([C@@H]1CC=CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217658128 432657286 /nfs/dbraw/zinc/65/72/86/432657286.db2.gz JPNHCSPTZHIAPW-IAGOWNOFSA-N 0 0 322.412 3.075 50 70 DGIARN C[C@@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 ZINC000217984235 432657873 /nfs/dbraw/zinc/65/78/73/432657873.db2.gz YZZCGAWYPPMFNZ-YVNCXZRQSA-N 0 0 321.376 3.470 50 70 DGIARN CCCc1cc(C(=O)NCc2csc(N(C)C)n2)cs1 ZINC000218176993 432658389 /nfs/dbraw/zinc/65/83/89/432658389.db2.gz VLVCQLCIGRFRPX-UHFFFAOYSA-N 0 0 309.460 3.153 50 70 DGIARN Cc1nc([C@H](C)NC(=O)C[NH+]2CCCCCCC2)c(C)s1 ZINC000218110014 432658867 /nfs/dbraw/zinc/65/88/67/432658867.db2.gz YPXSQUCIPXTLNZ-LBPRGKRZSA-N 0 0 309.479 3.203 50 70 DGIARN COc1cc2c(c(OC)c1OC)[C@H](c1ccsc1)CC(=O)O2 ZINC000217980890 295031547 /nfs/dbraw/zinc/03/15/47/295031547.db2.gz YQEHGJPYYFQJOP-JTQLQIEISA-N 0 0 320.366 3.215 50 70 biogenic DGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nsnc2c1 ZINC000217589138 201520104 /nfs/dbraw/zinc/52/01/04/201520104.db2.gz KHQUPMFOUWPZQF-FOSCPWQOSA-N 0 0 319.455 3.190 50 70 DGIARN O=C(NCc1cccc(C(F)(F)F)c1F)[C@H]1CCC[C@H](O)C1 ZINC000218099483 201531598 /nfs/dbraw/zinc/53/15/98/201531598.db2.gz ABDIVIKNYRBGOQ-ONGXEEELSA-N 0 0 319.298 3.012 50 70 DGIARN COc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(C)on2)c1 ZINC000218743899 201542305 /nfs/dbraw/zinc/54/23/05/201542305.db2.gz MZUGAIMQEUVOQK-QGZVFWFLSA-N 0 0 314.385 3.288 50 70 DGIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1cc(C(F)(F)F)ccc1Cl ZINC000217131497 284142774 /nfs/dbraw/zinc/14/27/74/284142774.db2.gz JNSPYHHYIAFIBP-FXAINCCUSA-N 0 0 319.710 3.266 50 70 DGIARN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc3ccc(C)nc32)[nH]n1 ZINC000159777745 197363625 /nfs/dbraw/zinc/36/36/25/197363625.db2.gz WOSAGTQDLDNLAL-GFCCVEGCSA-N 0 0 323.400 3.327 50 70 DGIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc(OC(C)C)cc1)CC(=O)O2 ZINC000218029029 292001015 /nfs/dbraw/zinc/00/10/15/292001015.db2.gz CSICYHUCDQRYSO-AWEZNQCLSA-N 0 0 314.337 3.176 50 70 biogenic DGIARN COc1ccc(CC(=O)NCc2cc3ccccc3[nH]2)c(OC)c1 ZINC000217209579 432654923 /nfs/dbraw/zinc/65/49/23/432654923.db2.gz BCWNWURZYHDAOM-UHFFFAOYSA-N 0 0 324.380 3.044 50 70 DGIARN CCOc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)o1 ZINC000217372901 432655161 /nfs/dbraw/zinc/65/51/61/432655161.db2.gz FITUQUITHLYQTE-AWEZNQCLSA-N 0 0 300.358 3.441 50 70 DGIARN O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1 ZINC000217576802 432656103 /nfs/dbraw/zinc/65/61/03/432656103.db2.gz RDUFQOFMLFOCRE-HXUWFJFHSA-N 0 0 320.392 3.196 50 70 DGIARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C(=O)c3ccco3)nc2c1 ZINC000217914854 432656613 /nfs/dbraw/zinc/65/66/13/432656613.db2.gz ZPOHTGPSFBKJDG-AWEZNQCLSA-N 0 0 323.352 3.011 50 70 DGIARN Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H]2c2ccccn2)n1 ZINC000217925174 432656729 /nfs/dbraw/zinc/65/67/29/432656729.db2.gz OWRKENVJPCSEBS-GOSISDBHSA-N 0 0 324.428 3.356 50 70 DGIARN O=C1C[C@@H](C2=Cc3ccccc3OC2)c2cc3c(cc2O1)OCO3 ZINC000217814054 432657019 /nfs/dbraw/zinc/65/70/19/432657019.db2.gz SNDKWYAIDKEIIE-ZDUSSCGKSA-N 0 0 322.316 3.284 50 70 biogenic DGIARN CC(=O)c1ccc(C(=O)NCCCc2nc(C)cs2)s1 ZINC000218218957 432658477 /nfs/dbraw/zinc/65/84/77/432658477.db2.gz QDLNJNYPAZXSGL-UHFFFAOYSA-N 0 0 308.428 3.078 50 70 DGIARN O=C(c1n[nH]c2ccccc21)N1CCCC[C@H]1c1cccnc1 ZINC000218114355 432659134 /nfs/dbraw/zinc/65/91/34/432659134.db2.gz KOFGMORMALFIOS-INIZCTEOSA-N 0 0 306.369 3.325 50 70 biogenic DGIARN CCc1nnc(CNC(C)(c2ccccc2)c2ccccc2)[nH]1 ZINC000160413921 432719368 /nfs/dbraw/zinc/71/93/68/432719368.db2.gz KMNQVMIBKXDDDT-UHFFFAOYSA-N 0 0 306.413 3.420 50 70 DGIARN COCCC1(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000159743073 186139391 /nfs/dbraw/zinc/13/93/91/186139391.db2.gz XBLXVESRRONIND-UHFFFAOYSA-N 0 0 317.216 3.122 50 70 DGIARN CC(C)[C@H](C(=O)NCCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000217101851 201510279 /nfs/dbraw/zinc/51/02/79/201510279.db2.gz VNUPYWKCDVKZFP-HNNXBMFYSA-N 0 0 305.809 3.162 50 70 DGIARN C[C@@](O)(CNC(=O)c1ccsc1)c1cc2ccccc2o1 ZINC000217983488 201530045 /nfs/dbraw/zinc/53/00/45/201530045.db2.gz PNHCDBTUIDJTOJ-MRXNPFEDSA-N 0 0 301.367 3.132 50 70 DGIARN O=C1C[C@@H](c2ccnc3ccccc32)c2cc3c(cc2O1)OCO3 ZINC000217695142 284837368 /nfs/dbraw/zinc/83/73/68/284837368.db2.gz NUKXOXYUQLLJRG-ZDUSSCGKSA-N 0 0 319.316 3.405 50 70 biogenic DGIARN COc1cccc(Cl)c1CC(=O)NCc1cc(C(C)C)no1 ZINC000159965803 400732329 /nfs/dbraw/zinc/73/23/29/400732329.db2.gz WXKUSVHZRRKIJE-UHFFFAOYSA-N 0 0 322.792 3.319 50 70 DGIARN c1cn(Cc2ccc(NC3CCC4(CC3)OCCO4)cc2)cn1 ZINC000161128691 400739070 /nfs/dbraw/zinc/73/90/70/400739070.db2.gz FVIVBACUAKDUSX-UHFFFAOYSA-N 0 0 313.401 3.029 50 70 DGIARN CC[C@H](NC(=O)c1ccc(Cl)s1)c1cn2cccnc2n1 ZINC000217113996 432654274 /nfs/dbraw/zinc/65/42/74/432654274.db2.gz YSBRLZANPDEURS-VIFPVBQESA-N 0 0 320.805 3.325 50 70 DGIARN Cc1nc(CN(C)Cc2cnc(N3CCCC3)s2)cs1 ZINC000217068972 432654793 /nfs/dbraw/zinc/65/47/93/432654793.db2.gz VKBMFKFYCSMWAV-UHFFFAOYSA-N 0 0 308.476 3.140 50 70 DGIARN O=C(c1ccc(-c2ccsc2)cc1)N1CCc2ncncc2C1 ZINC000217626736 432656363 /nfs/dbraw/zinc/65/63/63/432656363.db2.gz JXXQOQGULQINOM-UHFFFAOYSA-N 0 0 321.405 3.404 50 70 DGIARN CCOc1ccc(CCCC(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)cc1C ZINC000217937878 432656954 /nfs/dbraw/zinc/65/69/54/432656954.db2.gz BRQHLTJRTFCNNR-NUJGCVRESA-N 0 0 317.429 3.010 50 70 DGIARN CN(CCC[C@@H]1CCCO1)C(=O)COc1ccccc1Cl ZINC000218127497 432657544 /nfs/dbraw/zinc/65/75/44/432657544.db2.gz GPDAVJBIIYZABI-CYBMUJFWSA-N 0 0 311.809 3.136 50 70 DGIARN CN(CCC[C@H]1CCCO1)C(=O)COc1ccccc1Cl ZINC000218127561 432657983 /nfs/dbraw/zinc/65/79/83/432657983.db2.gz GPDAVJBIIYZABI-ZDUSSCGKSA-N 0 0 311.809 3.136 50 70 DGIARN O=C(NCCCc1ccncc1)c1ccccc1OC(F)F ZINC000218272613 432658334 /nfs/dbraw/zinc/65/83/34/432658334.db2.gz PKMWMQVXAJOTJV-UHFFFAOYSA-N 0 0 306.312 3.046 50 70 DGIARN CCN(CCn1cccn1)C(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000218012631 201529820 /nfs/dbraw/zinc/52/98/20/201529820.db2.gz ZRCFGRQQNIXYHP-OAHLLOKOSA-N 0 0 317.458 3.221 50 70 DGIARN Cc1nn(C)c2nc3c(c(C(=O)Nc4ccc(F)cc4)c12)CCC3 ZINC000218612133 257274253 /nfs/dbraw/zinc/27/42/53/257274253.db2.gz JOGZKOXRONMRIW-UHFFFAOYSA-N 0 0 324.359 3.157 50 70 DGIARN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000159587883 400730119 /nfs/dbraw/zinc/73/01/19/400730119.db2.gz OGHJELWKUVAFID-HNNXBMFYSA-N 0 0 318.421 3.167 50 70 DGIARN CSc1ncccc1C(=O)N[C@@H]1CCCc2sc(C)nc21 ZINC000218261194 286735497 /nfs/dbraw/zinc/73/54/97/286735497.db2.gz HVTZPUXAEGFALA-LLVKDONJSA-N 0 0 319.455 3.376 50 70 DGIARN O=C(c1ccc2c(c1)CCO2)N1CCCC[C@@H]1c1ccccn1 ZINC000217186972 432654799 /nfs/dbraw/zinc/65/47/99/432654799.db2.gz IYSXYHWEJFALMZ-QGZVFWFLSA-N 0 0 308.381 3.384 50 70 DGIARN O=C(c1ccc2c(c1)CCO2)N1CCCC[C@H]1c1ccccn1 ZINC000217186981 432654997 /nfs/dbraw/zinc/65/49/97/432654997.db2.gz IYSXYHWEJFALMZ-KRWDZBQOSA-N 0 0 308.381 3.384 50 70 DGIARN Cc1csc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1 ZINC000217888278 432656411 /nfs/dbraw/zinc/65/64/11/432656411.db2.gz SJYVKTLFIILILW-UHFFFAOYSA-N 0 0 317.439 3.412 50 70 DGIARN Cc1n[nH]c(C)c1CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000217771687 432656573 /nfs/dbraw/zinc/65/65/73/432656573.db2.gz GBLVDXVIZFUZQL-UHFFFAOYSA-N 0 0 324.428 3.189 50 70 DGIARN O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1cccc(=O)[nH]1 ZINC000218098893 432658983 /nfs/dbraw/zinc/65/89/83/432658983.db2.gz SPNOBHGJIKQENW-INIZCTEOSA-N 0 0 310.397 3.079 50 70 DGIARN Cc1ccc(Sc2ccc(CN3CCN(C)CC3)o2)cc1 ZINC000217978345 432659206 /nfs/dbraw/zinc/65/92/06/432659206.db2.gz DRQAMCJZZOPUDO-UHFFFAOYSA-N 0 0 302.443 3.487 50 70 DGIARN Cc1cc2ccccc2n1CCNc1cc(C2CC(O)C2)ncn1 ZINC000218171126 432659316 /nfs/dbraw/zinc/65/93/16/432659316.db2.gz YBOHWWDGNQWCRX-UHFFFAOYSA-N 0 0 322.412 3.090 50 70 DGIARN O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCOC1 ZINC000218566330 432660046 /nfs/dbraw/zinc/66/00/46/432660046.db2.gz ZJIHNWOJVSIDIC-LLVKDONJSA-N 0 0 313.382 3.038 50 70 DGIARN Cn1ccc(NC(=O)Nc2cccc(Oc3ccncc3)c2)n1 ZINC000160314374 323214430 /nfs/dbraw/zinc/21/44/30/323214430.db2.gz MVKPZVIUKPLPHK-UHFFFAOYSA-N 0 0 309.329 3.251 50 70 DGIARN O=C(c1ccc2cc[nH]c2c1)N1CC(Oc2ccc(F)cc2)C1 ZINC000217871283 201526498 /nfs/dbraw/zinc/52/64/98/201526498.db2.gz UUGCSUXEEJFMDE-UHFFFAOYSA-N 0 0 310.328 3.210 50 70 DGIARN CC(C)n1nccc1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000160888844 197447710 /nfs/dbraw/zinc/44/77/10/197447710.db2.gz LBXILEPLMOJOHQ-UHFFFAOYSA-N 0 0 313.405 3.102 50 70 DGIARN O=C1C[C@@H](c2ccc3ncccc3c2)c2cc3c(cc2O1)OCO3 ZINC000217906784 284836029 /nfs/dbraw/zinc/83/60/29/284836029.db2.gz HAGHYGAMEAVUTF-ZDUSSCGKSA-N 0 0 319.316 3.405 50 70 biogenic DGIARN CC(=O)c1cc(CN2CCN(C)[C@@H](c3ccccc3)C2)cs1 ZINC000217096045 432654530 /nfs/dbraw/zinc/65/45/30/432654530.db2.gz QXMXMHRMVLLYOM-QGZVFWFLSA-N 0 0 314.454 3.439 50 70 DGIARN CSc1ccccc1C(=O)NCC[C@@H](O)c1ccsc1 ZINC000217528790 432656978 /nfs/dbraw/zinc/65/69/78/432656978.db2.gz LDIJBZIVRFSKSJ-CYBMUJFWSA-N 0 0 307.440 3.324 50 70 DGIARN C[C@@](O)(CNC(=O)Cc1ccsc1)c1cc2ccccc2o1 ZINC000217993624 432657810 /nfs/dbraw/zinc/65/78/10/432657810.db2.gz NCQGGNSAPWYUKE-QGZVFWFLSA-N 0 0 315.394 3.061 50 70 DGIARN CSCc1ccc(C(=O)NCc2[nH]nc3c2CCCCC3)o1 ZINC000218495908 432657923 /nfs/dbraw/zinc/65/79/23/432657923.db2.gz AONUGEMRTZPADE-UHFFFAOYSA-N 0 0 319.430 3.065 50 70 DGIARN O=C(NC[C@H](c1ccccc1)C1CCCC1)c1cccc(=O)[nH]1 ZINC000218098967 432658299 /nfs/dbraw/zinc/65/82/99/432658299.db2.gz SPNOBHGJIKQENW-MRXNPFEDSA-N 0 0 310.397 3.079 50 70 DGIARN Cc1nnsc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000217992979 432658541 /nfs/dbraw/zinc/65/85/41/432658541.db2.gz BBZALJGLJBAQFX-UHFFFAOYSA-N 0 0 321.833 3.238 50 70 DGIARN O=C(c1n[nH]c2c1CCCC2)N1CCCC[C@H]1c1cccnc1 ZINC000217970394 432658957 /nfs/dbraw/zinc/65/89/57/432658957.db2.gz UCUKJOXRZNLXKQ-INIZCTEOSA-N 0 0 310.401 3.051 50 70 biogenic DGIARN CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)[nH]n1 ZINC000217992448 432659039 /nfs/dbraw/zinc/65/90/39/432659039.db2.gz KOJAUTCPHMWLIF-KRWDZBQOSA-N 0 0 312.417 3.371 50 70 biogenic DGIARN COc1cc(F)c(C(=O)NCCCC[C@H]2CCCO2)c(F)c1 ZINC000218525478 432660851 /nfs/dbraw/zinc/66/08/51/432660851.db2.gz UKEBLTIVEXOLHM-NSHDSACASA-N 0 0 313.344 3.053 50 70 DGIARN FC(F)(F)c1ccn(Cc2noc(C3CCCCC3)n2)n1 ZINC000160731178 432737588 /nfs/dbraw/zinc/73/75/88/432737588.db2.gz IPXWOZIFSBCVKR-UHFFFAOYSA-N 0 0 300.284 3.381 50 70 DGIARN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCCCCC1 ZINC000160776236 432740232 /nfs/dbraw/zinc/74/02/32/432740232.db2.gz JKLNJWIWMPGNDF-IRXDYDNUSA-N 0 0 302.418 3.492 50 70 DGIARN CCOc1nc(C)c(NC(=O)CCCc2ccccc2)c(C)n1 ZINC000217585943 201521361 /nfs/dbraw/zinc/52/13/61/201521361.db2.gz QDTUBAMSSGWPPE-UHFFFAOYSA-N 0 0 313.401 3.454 50 70 DGIARN O=C(Cc1ccc2c(c1)CCO2)N1CCCC[C@H]1c1cccnc1 ZINC000218016442 432657610 /nfs/dbraw/zinc/65/76/10/432657610.db2.gz GQGISRKEXXZXIZ-SFHVURJKSA-N 0 0 322.408 3.313 50 70 biogenic DGIARN Cc1ccccc1CSCCCNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000218196214 432657915 /nfs/dbraw/zinc/65/79/15/432657915.db2.gz FXRVNPQDRLPKMQ-RDJZCZTQSA-N 0 0 321.486 3.286 50 70 DGIARN CC(C)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217991977 432658217 /nfs/dbraw/zinc/65/82/17/432658217.db2.gz FKYCSSAITMFPRU-QGZVFWFLSA-N 0 0 306.365 3.457 50 70 biogenic DGIARN CCCc1ccc(S(=O)(=O)Nc2ccn3nccc3c2)cc1 ZINC000217961925 432658236 /nfs/dbraw/zinc/65/82/36/432658236.db2.gz PXQKXIMKIFRXCH-UHFFFAOYSA-N 0 0 315.398 3.088 50 70 DGIARN CCSCCC(=O)NC1CCN(c2cccc(C)c2)CC1 ZINC000218445646 432658646 /nfs/dbraw/zinc/65/86/46/432658646.db2.gz GKDAPWIUBNXJOS-UHFFFAOYSA-N 0 0 306.475 3.223 50 70 DGIARN CCC[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1nccn1C ZINC000218768634 432659968 /nfs/dbraw/zinc/65/99/68/432659968.db2.gz RJPVMQHPKVLLJR-HNNXBMFYSA-N 0 0 321.371 3.289 50 70 DGIARN CCCc1ccc(CN2CCc3nc[nH]c3[C@H]2c2ccccn2)o1 ZINC000218665437 432660205 /nfs/dbraw/zinc/66/02/05/432660205.db2.gz LDCJRQHNFFFEBP-LJQANCHMSA-N 0 0 322.412 3.498 50 70 DGIARN O[C@]1(C(F)(F)F)CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159602349 186130161 /nfs/dbraw/zinc/13/01/61/186130161.db2.gz IMFWKEBAMVQJAM-CYBMUJFWSA-N 0 0 318.245 3.017 50 70 DGIARN CSc1ccccc1C(=O)NCC[C@H](O)c1ccsc1 ZINC000217528703 201518572 /nfs/dbraw/zinc/51/85/72/201518572.db2.gz LDIJBZIVRFSKSJ-ZDUSSCGKSA-N 0 0 307.440 3.324 50 70 DGIARN COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 ZINC000217893422 277430004 /nfs/dbraw/zinc/43/00/04/277430004.db2.gz LUFUSSPDMKNSMV-CQSZACIVSA-N 0 0 312.321 3.044 50 70 biogenic DGIARN Cc1ccc(-c2[nH]nc(NC(=O)c3n[nH]c4ccccc43)c2C)o1 ZINC000161404382 280723300 /nfs/dbraw/zinc/72/33/00/280723300.db2.gz HQKOYCFGDBIQQU-UHFFFAOYSA-N 0 0 321.340 3.415 50 70 DGIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1ccccc1OCc1ccccc1 ZINC000217027347 432653485 /nfs/dbraw/zinc/65/34/85/432653485.db2.gz ZONSRIUESXZXNO-SUMDDJOVSA-N 0 0 323.392 3.173 50 70 DGIARN O=C(C(=O)N1CCCC[C@H]1c1ccc(F)cc1)c1ccco1 ZINC000216935555 432653504 /nfs/dbraw/zinc/65/35/04/432653504.db2.gz FXJUHTHEMPUBAA-AWEZNQCLSA-N 0 0 301.317 3.355 50 70 DGIARN O=C([C@@H]1CC=CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217658200 432656400 /nfs/dbraw/zinc/65/64/00/432656400.db2.gz JPNHCSPTZHIAPW-SJORKVTESA-N 0 0 322.412 3.075 50 70 DGIARN Cn1nc(CN(C(=O)c2ccco2)C2CCCC2)c2c1CCC2 ZINC000217909836 432656621 /nfs/dbraw/zinc/65/66/21/432656621.db2.gz XJJVANIUWWZBSY-UHFFFAOYSA-N 0 0 313.401 3.087 50 70 DGIARN O=C(NCCSC1CCOCC1)c1ccc(Cl)s1 ZINC000217700133 432656941 /nfs/dbraw/zinc/65/69/41/432656941.db2.gz ASPNOPWFSYJOTI-UHFFFAOYSA-N 0 0 305.852 3.044 50 70 DGIARN O=C(NCc1ccc(C(F)(F)F)cc1F)[C@H]1CCC[C@@H](O)C1 ZINC000218184217 432657854 /nfs/dbraw/zinc/65/78/54/432657854.db2.gz RXMGYJJEGDMBJA-JOYOIKCWSA-N 0 0 319.298 3.012 50 70 DGIARN C[C@](O)(CNC(=O)Cc1ccsc1)c1cc2ccccc2o1 ZINC000217993709 432658320 /nfs/dbraw/zinc/65/83/20/432658320.db2.gz NCQGGNSAPWYUKE-KRWDZBQOSA-N 0 0 315.394 3.061 50 70 DGIARN O=C(COc1ccc2ccccc2c1)NCCC[C@@H]1CCOC1 ZINC000218046134 432658408 /nfs/dbraw/zinc/65/84/08/432658408.db2.gz YFHVZSNKYSQLOP-OAHLLOKOSA-N 0 0 313.397 3.152 50 70 DGIARN O=C(Cc1cccnc1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000218331150 432658471 /nfs/dbraw/zinc/65/84/71/432658471.db2.gz TXNKIEIFXTUEQL-LJQANCHMSA-N 0 0 321.355 3.064 50 70 DGIARN CSc1ccc(CNc2cc(C3CC(O)C3)nc(C)n2)cc1 ZINC000218743126 432660871 /nfs/dbraw/zinc/66/08/71/432660871.db2.gz OQVOKNRVRYCKDH-UHFFFAOYSA-N 0 0 315.442 3.357 50 70 DGIARN c1cc(-c2ccncc2)n(Cc2noc(C3CCCCC3)n2)n1 ZINC000160833948 432744086 /nfs/dbraw/zinc/74/40/86/432744086.db2.gz ZBGKCNGJQRKFLC-UHFFFAOYSA-N 0 0 309.373 3.424 50 70 DGIARN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000161289492 323214584 /nfs/dbraw/zinc/21/45/84/323214584.db2.gz BPVVWZXSWNTPOZ-HNNXBMFYSA-N 0 0 322.453 3.451 50 70 DGIARN Cc1cccc([C@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 ZINC000217859011 201525779 /nfs/dbraw/zinc/52/57/79/201525779.db2.gz TVNZGOVLWPETMA-INIZCTEOSA-N 0 0 311.381 3.276 50 70 DGIARN Cc1csc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 ZINC000217984063 201530258 /nfs/dbraw/zinc/53/02/58/201530258.db2.gz LCNYJWZAOFVHTL-KRWDZBQOSA-N 0 0 315.394 3.440 50 70 DGIARN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C3CC3)nc(C)n1)C2 ZINC000159900387 197371586 /nfs/dbraw/zinc/37/15/86/197371586.db2.gz RUIZOIVCPQJMDC-QGZVFWFLSA-N 0 0 323.396 3.221 50 70 DGIARN COc1ccc(F)c(F)c1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000218291774 286319018 /nfs/dbraw/zinc/31/90/18/286319018.db2.gz HYBBZNSAKQVHDN-NEPJUHHUSA-N 0 0 307.340 3.402 50 70 DGIARN O=C(c1ccsc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654061 432657070 /nfs/dbraw/zinc/65/70/70/432657070.db2.gz HMTVYWCNGQKYCJ-OAHLLOKOSA-N 0 0 324.409 3.094 50 70 DGIARN C[C@](O)(CNC(=O)c1ccco1)c1cc2ccccc2s1 ZINC000217497686 432657259 /nfs/dbraw/zinc/65/72/59/432657259.db2.gz VMNAGFDNVPQMNO-INIZCTEOSA-N 0 0 301.367 3.132 50 70 DGIARN O=C(NCC[C@H](O)c1ccsc1)c1cc2ccccc2o1 ZINC000217527554 432657282 /nfs/dbraw/zinc/65/72/82/432657282.db2.gz RIMWXFOVTCOGMM-ZDUSSCGKSA-N 0 0 301.367 3.348 50 70 DGIARN Cc1ncsc1CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000217792575 432657413 /nfs/dbraw/zinc/65/74/13/432657413.db2.gz GTTSNUHHGDWZGN-CQSZACIVSA-N 0 0 318.442 3.195 50 70 DGIARN CC[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)[C@H]1C[C@@H](O)C1 ZINC000218299648 432658003 /nfs/dbraw/zinc/65/80/03/432658003.db2.gz KVVRJYGQTBUFSJ-OBJOEFQTSA-N 0 0 318.804 3.168 50 70 DGIARN C[C@@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 ZINC000217994766 432658537 /nfs/dbraw/zinc/65/85/37/432658537.db2.gz MNMLKBVXVKWGAH-IPLHWJFFSA-N 0 0 311.337 3.063 50 70 DGIARN O=C(NCC[C@H](O)c1ccsc1)c1ccc(Cl)s1 ZINC000217527752 201518626 /nfs/dbraw/zinc/51/86/26/201518626.db2.gz YPVODAONTHNREW-VIFPVBQESA-N 0 0 301.820 3.317 50 70 DGIARN O=C(CSc1ccc(F)cc1)Nc1ccn2nccc2c1 ZINC000217956011 201528718 /nfs/dbraw/zinc/52/87/18/201528718.db2.gz WMINJIKGRGGANX-UHFFFAOYSA-N 0 0 301.346 3.204 50 70 DGIARN CN(C)[C@@H](C(=O)NC1(c2ccccc2)CC1)c1cccc(F)c1 ZINC000218600290 257273965 /nfs/dbraw/zinc/27/39/65/257273965.db2.gz BNKYCSBVCMVYDQ-QGZVFWFLSA-N 0 0 312.388 3.234 50 70 DGIARN CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1nc(C)c[nH]1 ZINC000217002266 432653546 /nfs/dbraw/zinc/65/35/46/432653546.db2.gz HVVIPHOGSYDAOC-MRXNPFEDSA-N 0 0 312.417 3.199 50 70 DGIARN CC[C@@H](NC(=O)c1ccc(Cl)s1)c1cn2cccnc2n1 ZINC000217113980 432654584 /nfs/dbraw/zinc/65/45/84/432654584.db2.gz YSBRLZANPDEURS-SECBINFHSA-N 0 0 320.805 3.325 50 70 DGIARN O=C(Cc1ccccn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000217154926 432654804 /nfs/dbraw/zinc/65/48/04/432654804.db2.gz KQAYBOSPHMTSEV-KRWDZBQOSA-N 0 0 320.396 3.254 50 70 DGIARN CC(=O)c1cccc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000217119964 432654819 /nfs/dbraw/zinc/65/48/19/432654819.db2.gz YSVNXWZCHQMPAM-IBGZPJMESA-N 0 0 322.408 3.018 50 70 DGIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccc(Cl)s1 ZINC000217527827 432656010 /nfs/dbraw/zinc/65/60/10/432656010.db2.gz YPVODAONTHNREW-SECBINFHSA-N 0 0 301.820 3.317 50 70 DGIARN O=C(c1cnco1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000218096006 432658051 /nfs/dbraw/zinc/65/80/51/432658051.db2.gz BLAHVCSIJHSMIT-AWEZNQCLSA-N 0 0 300.358 3.008 50 70 DGIARN CCN(Cc1cnn(C(C)C)c1)C(=O)c1c(F)cccc1OC ZINC000218070419 432658271 /nfs/dbraw/zinc/65/82/71/432658271.db2.gz MYGXTMRKWIFYKB-UHFFFAOYSA-N 0 0 319.380 3.274 50 70 DGIARN CCOc1ccc(CCCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1C ZINC000218503878 432658910 /nfs/dbraw/zinc/65/89/10/432658910.db2.gz BRQHLTJRTFCNNR-RYRKJORJSA-N 0 0 317.429 3.010 50 70 DGIARN CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC000218768021 432660318 /nfs/dbraw/zinc/66/03/18/432660318.db2.gz MLLHQPMROHWBKM-LLVKDONJSA-N 0 0 306.797 3.141 50 70 DGIARN CC1(C)C[C@]1(C(=O)NCCc1ccncc1)c1cccs1 ZINC000217032339 201508866 /nfs/dbraw/zinc/50/88/66/201508866.db2.gz WOHCCJRDDWEIOL-QGZVFWFLSA-N 0 0 300.427 3.170 50 70 DGIARN O=C(NCCCc1ccncc1)c1scc2c1CCCC2 ZINC000218103027 201531567 /nfs/dbraw/zinc/53/15/67/201531567.db2.gz KRZPOBSXUUKZEU-UHFFFAOYSA-N 0 0 300.427 3.385 50 70 DGIARN CSc1nc(C(=O)N(C)Cc2noc3c2CCCC3)cs1 ZINC000218590980 257273917 /nfs/dbraw/zinc/27/39/17/257273917.db2.gz ZNUNDKGBBFWLND-UHFFFAOYSA-N 0 0 323.443 3.004 50 70 DGIARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000216975681 279189042 /nfs/dbraw/zinc/18/90/42/279189042.db2.gz MJMZPSOFHJZUOB-OAHLLOKOSA-N 0 0 301.365 3.153 50 70 DGIARN O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1OCc1ccccc1)C2 ZINC000217524566 432656983 /nfs/dbraw/zinc/65/69/83/432656983.db2.gz ZYYZOBAIRFZVBL-KXTWHKPSSA-N 0 0 323.436 3.468 50 70 DGIARN CC[C@@H](C(=O)NCCSC1CCOCC1)c1ccccc1 ZINC000217700331 432657193 /nfs/dbraw/zinc/65/71/93/432657193.db2.gz GXAKXNWNGUGKKQ-MRXNPFEDSA-N 0 0 307.459 3.209 50 70 DGIARN CCCn1nc(C)c(CNC(=O)c2ccc(C(C)=O)s2)c1C ZINC000218268049 432657693 /nfs/dbraw/zinc/65/76/93/432657693.db2.gz JKVDGNBJGFSJKN-UHFFFAOYSA-N 0 0 319.430 3.104 50 70 DGIARN CC(C)[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C ZINC000218243494 432657705 /nfs/dbraw/zinc/65/77/05/432657705.db2.gz HCZJTHDCKUZDAI-INIZCTEOSA-N 0 0 308.385 3.095 50 70 DGIARN CSc1ncccc1C(=O)N(C)Cc1cnc2ccccc2n1 ZINC000218329884 432658012 /nfs/dbraw/zinc/65/80/12/432658012.db2.gz BZLMWTUFCBISDG-UHFFFAOYSA-N 0 0 324.409 3.019 50 70 DGIARN CCN(CCn1cccn1)C(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000218012717 432658255 /nfs/dbraw/zinc/65/82/55/432658255.db2.gz ZRCFGRQQNIXYHP-HNNXBMFYSA-N 0 0 317.458 3.221 50 70 DGIARN CCc1nc(CNC(=O)c2cc(-c3ccsc3)n[nH]2)cs1 ZINC000218294483 432658962 /nfs/dbraw/zinc/65/89/62/432658962.db2.gz YZOSOLRXILXOCV-UHFFFAOYSA-N 0 0 318.427 3.087 50 70 DGIARN O=C1C[C@H](c2ccc(F)c(F)c2)c2cc3c(cc2O1)OCO3 ZINC000218223897 432659055 /nfs/dbraw/zinc/65/90/55/432659055.db2.gz QGJQENBMAVCHJE-SECBINFHSA-N 0 0 304.248 3.135 50 70 DGIARN CCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc2ncccc2c1 ZINC000218413809 432659069 /nfs/dbraw/zinc/65/90/69/432659069.db2.gz BSLSWWCHKDDULU-UHFFFAOYSA-N 0 0 322.412 3.247 50 70 DGIARN CC(C)(C)c1ccc([SiH](c2ccccc2)c2ccccc2)cc1 ZINC000169817107 546099191 /nfs/dbraw/zinc/09/91/91/546099191.db2.gz YBFSPDSAMLRPBO-UHFFFAOYSA-N 0 0 316.520 3.233 50 70 DGIARN Cc1ccc(C(=O)CCN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000159611182 186130605 /nfs/dbraw/zinc/13/06/05/186130605.db2.gz GNTNBCDBVSWBNW-MRXNPFEDSA-N 0 0 316.426 3.098 50 70 DGIARN C[C@@](O)(CNC(=O)c1ccco1)c1cc2ccccc2s1 ZINC000217497595 201517443 /nfs/dbraw/zinc/51/74/43/201517443.db2.gz VMNAGFDNVPQMNO-MRXNPFEDSA-N 0 0 301.367 3.132 50 70 DGIARN CCSc1ccc(C(=O)NCCc2c(C)n[nH]c2C)s1 ZINC000217658462 201521280 /nfs/dbraw/zinc/52/12/80/201521280.db2.gz RTVSHYCSYHLUTI-UHFFFAOYSA-N 0 0 309.460 3.173 50 70 DGIARN Cc1noc(CNC(=O)Nc2cccc(CSC(C)C)c2)n1 ZINC000160951134 400738019 /nfs/dbraw/zinc/73/80/19/400738019.db2.gz UKUFVVGYYBXAQC-UHFFFAOYSA-N 0 0 320.418 3.341 50 70 DGIARN CC[C@H](C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 ZINC000217527932 432656134 /nfs/dbraw/zinc/65/61/34/432656134.db2.gz IHJOBUPLNDBMBP-HOTGVXAUSA-N 0 0 303.427 3.482 50 70 DGIARN Cc1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cc(=O)[nH]1 ZINC000217920343 432657237 /nfs/dbraw/zinc/65/72/37/432657237.db2.gz FCDWIEHNFHZIDB-FQEVSTJZSA-N 0 0 324.424 3.123 50 70 DGIARN CN(Cc1cc(-c2ccccn2)no1)C(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218234919 432657516 /nfs/dbraw/zinc/65/75/16/432657516.db2.gz HHWLXFBTULSHST-ILXRZTDVSA-N 0 0 323.396 3.297 50 70 DGIARN COc1ccccc1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC000218389246 432657569 /nfs/dbraw/zinc/65/75/69/432657569.db2.gz OKTSCRBPGFRQRF-UHFFFAOYSA-N 0 0 324.424 3.429 50 70 DGIARN O=C(Cc1cccnc1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000218331225 432657839 /nfs/dbraw/zinc/65/78/39/432657839.db2.gz TXNKIEIFXTUEQL-IBGZPJMESA-N 0 0 321.355 3.064 50 70 DGIARN O=C(/C=C/c1cccs1)Nc1cnn(CC2CCOCC2)c1 ZINC000218201731 432658787 /nfs/dbraw/zinc/65/87/87/432658787.db2.gz MNNVVBNXGIFOLH-ONEGZZNKSA-N 0 0 317.414 3.023 50 70 DGIARN CC(C)c1nnc(NC(=O)CCCc2c[nH]c3ccccc23)[nH]1 ZINC000218411540 432658883 /nfs/dbraw/zinc/65/88/83/432658883.db2.gz JVBXPXJOJSGCMR-UHFFFAOYSA-N 0 0 311.389 3.371 50 70 DGIARN CC(C)CCn1cnc2ccc(NC(=O)C(C)C)cc2c1=O ZINC000218526418 432659859 /nfs/dbraw/zinc/65/98/59/432659859.db2.gz QYVJWAIIQHZUTB-UHFFFAOYSA-N 0 0 301.390 3.037 50 70 DGIARN COc1cc(F)c(C(=O)NCCCC[C@@H]2CCCO2)c(F)c1 ZINC000218525404 432660900 /nfs/dbraw/zinc/66/09/00/432660900.db2.gz UKEBLTIVEXOLHM-LLVKDONJSA-N 0 0 313.344 3.053 50 70 DGIARN CCc1ccc(S(=O)(=O)N[C@@H](CC)c2nccs2)s1 ZINC000159924976 432700981 /nfs/dbraw/zinc/70/09/81/432700981.db2.gz UBVHFMCYQOKHKV-JTQLQIEISA-N 0 0 316.473 3.197 50 70 DGIARN O=C(COc1ccc(Cl)cc1)Nc1ccn2nccc2c1 ZINC000217954298 201527798 /nfs/dbraw/zinc/52/77/98/201527798.db2.gz IAUIHPVBCKBWLB-UHFFFAOYSA-N 0 0 301.733 3.005 50 70 DGIARN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cccc(F)n2)n1 ZINC000160793345 400736343 /nfs/dbraw/zinc/73/63/43/400736343.db2.gz WOZFAWIHEYVPEB-UHFFFAOYSA-N 0 0 314.295 3.106 50 70 DGIARN O=C(Nc1cnn(CC2CCOCC2)c1)Nc1cccs1 ZINC000218235083 400950514 /nfs/dbraw/zinc/95/05/14/400950514.db2.gz LUWMYUWNJCYNRN-UHFFFAOYSA-N 0 0 306.391 3.015 50 70 DGIARN Cc1nnc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)[nH]1 ZINC000217375245 432654098 /nfs/dbraw/zinc/65/40/98/432654098.db2.gz GECPFCDTSSDJCQ-LBPRGKRZSA-N 0 0 312.398 3.305 50 70 DGIARN Cc1cc(-c2ccncc2)nn1CCNC(=O)Nc1ccccc1 ZINC000217870485 432656406 /nfs/dbraw/zinc/65/64/06/432656406.db2.gz BYYFDPPRTOQIFH-UHFFFAOYSA-N 0 0 321.384 3.075 50 70 DGIARN O=C(CSCc1ccccc1)NCC[C@H](O)c1ccsc1 ZINC000217530629 432656803 /nfs/dbraw/zinc/65/68/03/432656803.db2.gz RKIVNMXLDDYKRQ-HNNXBMFYSA-N 0 0 321.467 3.221 50 70 DGIARN O=C(CSCc1ccccc1)NCC[C@@H](O)c1ccsc1 ZINC000217530700 432657156 /nfs/dbraw/zinc/65/71/56/432657156.db2.gz RKIVNMXLDDYKRQ-OAHLLOKOSA-N 0 0 321.467 3.221 50 70 DGIARN CC[C@H](C(=O)NCCSC1CCOCC1)c1ccccc1 ZINC000217700246 432657319 /nfs/dbraw/zinc/65/73/19/432657319.db2.gz GXAKXNWNGUGKKQ-INIZCTEOSA-N 0 0 307.459 3.209 50 70 DGIARN COc1cc2c(cc1OC)CN(Cc1coc(C(C)C)n1)CC2 ZINC000218096897 432658439 /nfs/dbraw/zinc/65/84/39/432658439.db2.gz WJNDTPUHKKVKRA-UHFFFAOYSA-N 0 0 316.401 3.374 50 70 DGIARN Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000217976047 432658495 /nfs/dbraw/zinc/65/84/95/432658495.db2.gz OSZWDQDEUAXKOT-KRWDZBQOSA-N 0 0 313.401 3.373 50 70 biogenic DGIARN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCCCCC1 ZINC000160775976 432740160 /nfs/dbraw/zinc/74/01/60/432740160.db2.gz JKLNJWIWMPGNDF-SJORKVTESA-N 0 0 302.418 3.492 50 70 DGIARN O=C(NCc1ccncn1)c1ccc(-c2cccc(F)c2)cc1 ZINC000218053931 201529371 /nfs/dbraw/zinc/52/93/71/201529371.db2.gz SZJWYSHFBGOEQW-UHFFFAOYSA-N 0 0 307.328 3.213 50 70 DGIARN CC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)[C@H]1C[C@@H](O)C1 ZINC000218299584 201537032 /nfs/dbraw/zinc/53/70/32/201537032.db2.gz KVVRJYGQTBUFSJ-YRGRVCCFSA-N 0 0 318.804 3.168 50 70 DGIARN COc1cccc(CC(=O)N2CCCC[C@H]2c2cc(C)on2)c1 ZINC000218743951 201542353 /nfs/dbraw/zinc/54/23/53/201542353.db2.gz MZUGAIMQEUVOQK-KRWDZBQOSA-N 0 0 314.385 3.288 50 70 DGIARN Cc1nc(NC(=O)C[C@@H]2OCCc3ccccc32)cc(C2CC2)n1 ZINC000160261847 197396445 /nfs/dbraw/zinc/39/64/45/197396445.db2.gz NZCFOGBDQDRNLU-KRWDZBQOSA-N 0 0 323.396 3.305 50 70 DGIARN Cc1nc(CC(=O)N2CCOc3c(Cl)cccc32)c(C)s1 ZINC000159953031 197375977 /nfs/dbraw/zinc/37/59/77/197375977.db2.gz KJXPVLHNXPHWPP-UHFFFAOYSA-N 0 0 322.817 3.381 50 70 DGIARN Cc1nccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000159395761 197350981 /nfs/dbraw/zinc/35/09/81/197350981.db2.gz SHOYNQXKTXEOJT-GDLCADMTSA-N 0 0 321.808 3.123 50 70 DGIARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2cc3c(cc2O1)OCO3 ZINC000218389180 284836078 /nfs/dbraw/zinc/83/60/78/284836078.db2.gz WIRQWUACXCGBST-QMMMGPOBSA-N 0 0 322.238 3.274 50 70 DGIARN CON(Cc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000161129846 400738721 /nfs/dbraw/zinc/73/87/21/400738721.db2.gz ACLSFZTVRSHYFX-JOCHJYFZSA-N 0 0 318.398 3.020 50 70 DGIARN Cc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218237341 400950610 /nfs/dbraw/zinc/95/06/10/400950610.db2.gz NGDJDTVRLRLHCM-UHFFFAOYSA-N 0 0 314.389 3.262 50 70 DGIARN CSc1ccccc1C(=O)N[C@H](C)c1nnc(C(C)C)o1 ZINC000217054249 432654164 /nfs/dbraw/zinc/65/41/64/432654164.db2.gz FDPKSSWSCAORLX-SNVBAGLBSA-N 0 0 305.403 3.406 50 70 DGIARN Cc1cc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)cc(=O)[nH]1 ZINC000217920253 432656393 /nfs/dbraw/zinc/65/63/93/432656393.db2.gz FCDWIEHNFHZIDB-HXUWFJFHSA-N 0 0 324.424 3.123 50 70 DGIARN Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccccc1 ZINC000217873178 432656709 /nfs/dbraw/zinc/65/67/09/432656709.db2.gz ZGEKQFHGOVMYKL-UHFFFAOYSA-N 0 0 311.410 3.350 50 70 DGIARN Cc1ccccc1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217883879 432656713 /nfs/dbraw/zinc/65/67/13/432656713.db2.gz VVHAODJMKCGXBP-UHFFFAOYSA-N 0 0 311.410 3.350 50 70 DGIARN O=C1C[C@H](c2ccc3ncccc3c2)c2cc3c(cc2O1)OCO3 ZINC000217906855 432656969 /nfs/dbraw/zinc/65/69/69/432656969.db2.gz HAGHYGAMEAVUTF-CYBMUJFWSA-N 0 0 319.316 3.405 50 70 biogenic DGIARN Cc1cccc([C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 ZINC000217858921 432657170 /nfs/dbraw/zinc/65/71/70/432657170.db2.gz TVNZGOVLWPETMA-MRXNPFEDSA-N 0 0 311.381 3.276 50 70 DGIARN O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCOC1 ZINC000218566384 432660041 /nfs/dbraw/zinc/66/00/41/432660041.db2.gz ZJIHNWOJVSIDIC-NSHDSACASA-N 0 0 313.382 3.038 50 70 DGIARN O[C@@]1(C(F)(F)F)CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159602486 186130471 /nfs/dbraw/zinc/13/04/71/186130471.db2.gz IMFWKEBAMVQJAM-ZDUSSCGKSA-N 0 0 318.245 3.017 50 70 DGIARN Cc1c(CN(C)C(=O)c2cc(C)nc(C)n2)[nH]c2ccccc12 ZINC000218745219 201542170 /nfs/dbraw/zinc/54/21/70/201542170.db2.gz HSOMCJHHEAUUAB-UHFFFAOYSA-N 0 0 308.385 3.155 50 70 DGIARN CCC[C@H]1CN(C(=O)NCC(C)(C)c2ccccc2)CCO1 ZINC000159656052 400730267 /nfs/dbraw/zinc/73/02/67/400730267.db2.gz YIVKWNQDWUTITI-INIZCTEOSA-N 0 0 304.434 3.175 50 70 DGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2[nH]ccc2c1 ZINC000218225090 400950782 /nfs/dbraw/zinc/95/07/82/400950782.db2.gz JVARRUFPDADLOR-UHFFFAOYSA-N 0 0 324.384 3.043 50 70 DGIARN Cc1cc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c(C)o1 ZINC000217005979 278632272 /nfs/dbraw/zinc/63/22/72/278632272.db2.gz UVYMSCAAPQAPFG-UHFFFAOYSA-N 0 0 324.380 3.023 50 70 DGIARN C[C@H](c1nccs1)N(C)C(=O)c1ccc(SCCO)cc1 ZINC000217067230 432654940 /nfs/dbraw/zinc/65/49/40/432654940.db2.gz FKHQKXRJPUMKLC-LLVKDONJSA-N 0 0 322.455 3.061 50 70 DGIARN Cc1ccc2[nH]c([C@H](NC(=O)Cc3ccccn3)C(C)C)nc2c1 ZINC000217071086 432655190 /nfs/dbraw/zinc/65/51/90/432655190.db2.gz QFZIXDZCYIFEPU-GOSISDBHSA-N 0 0 322.412 3.322 50 70 DGIARN O=C(CCc1cccc(O)c1)NCc1c[nH]nc1-c1ccccc1 ZINC000217814058 432655800 /nfs/dbraw/zinc/65/58/00/432655800.db2.gz OZBBVNCSPWYLFC-UHFFFAOYSA-N 0 0 321.380 3.031 50 70 DGIARN CC[C@@H](C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 ZINC000217528018 432656911 /nfs/dbraw/zinc/65/69/11/432656911.db2.gz IHJOBUPLNDBMBP-CVEARBPZSA-N 0 0 303.427 3.482 50 70 DGIARN CCOc1ccc(NC(=O)NCC[C@@H](O)c2ccsc2)cc1 ZINC000217546356 432657145 /nfs/dbraw/zinc/65/71/45/432657145.db2.gz RUKNWLSSOVWECR-OAHLLOKOSA-N 0 0 320.414 3.392 50 70 DGIARN CCn1nc(C)c([C@@H](C)NC(=O)CCOc2ccccc2)c1C ZINC000218175992 432658294 /nfs/dbraw/zinc/65/82/94/432658294.db2.gz UHSIVJFGYVPQOV-CYBMUJFWSA-N 0 0 315.417 3.166 50 70 DGIARN CCn1nc(C)c([C@H](C)NC(=O)CCOc2ccccc2)c1C ZINC000218176064 432659033 /nfs/dbraw/zinc/65/90/33/432659033.db2.gz UHSIVJFGYVPQOV-ZDUSSCGKSA-N 0 0 315.417 3.166 50 70 DGIARN CCC[C@@H](NC(=O)c1ccccc1SC)c1nccn1C ZINC000218722159 432660801 /nfs/dbraw/zinc/66/08/01/432660801.db2.gz RQUWENPICPSNEF-CYBMUJFWSA-N 0 0 303.431 3.413 50 70 DGIARN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000161289607 323214591 /nfs/dbraw/zinc/21/45/91/323214591.db2.gz BPVVWZXSWNTPOZ-OAHLLOKOSA-N 0 0 322.453 3.451 50 70 DGIARN O=C(CCc1cccc(F)c1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000218540348 333393874 /nfs/dbraw/zinc/39/38/74/333393874.db2.gz FGUUMQWVPOKOMI-UHFFFAOYSA-N 0 0 323.371 3.465 50 70 DGIARN CC(=O)N1CC(Nc2ccc(Cl)c(C(F)(F)F)c2)=CC1=O ZINC000218594996 257273857 /nfs/dbraw/zinc/27/38/57/257273857.db2.gz CKAAMSOZGZPHJJ-UHFFFAOYSA-N 0 0 318.682 3.043 50 70 DGIARN CN(OCc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000161122734 400739005 /nfs/dbraw/zinc/73/90/05/400739005.db2.gz MHFNPUZJJQKNQZ-JOCHJYFZSA-N 0 0 318.398 3.020 50 70 DGIARN COc1cc2c(c(OC)c1OC)[C@@H](c1ccsc1)CC(=O)O2 ZINC000217980970 277390789 /nfs/dbraw/zinc/39/07/89/277390789.db2.gz YQEHGJPYYFQJOP-SNVBAGLBSA-N 0 0 320.366 3.215 50 70 biogenic DGIARN CSCc1ccc(C(=O)NCc2cn3c(cccc3C)n2)o1 ZINC000216980792 432651890 /nfs/dbraw/zinc/65/18/90/432651890.db2.gz SVKDIELRFDEHSN-UHFFFAOYSA-N 0 0 315.398 3.029 50 70 DGIARN Cc1nnc(CCNC(=O)c2ccc(-c3ccco3)cc2)s1 ZINC000217609997 432657200 /nfs/dbraw/zinc/65/72/00/432657200.db2.gz DRHKZFUXTHBVPO-UHFFFAOYSA-N 0 0 313.382 3.079 50 70 DGIARN CCN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(O)c1C ZINC000218714099 432659752 /nfs/dbraw/zinc/65/97/52/432659752.db2.gz ZIBHAQPGRHOCOB-UHFFFAOYSA-N 0 0 301.390 3.140 50 70 DGIARN CN(CCn1ccnc1)C(=O)c1ccccc1Oc1ccccc1 ZINC000218762355 432661100 /nfs/dbraw/zinc/66/11/00/432661100.db2.gz RCMCXZFKDJLKHV-UHFFFAOYSA-N 0 0 321.380 3.448 50 70 DGIARN CC(C)C[C@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C ZINC000218192290 201533855 /nfs/dbraw/zinc/53/38/55/201533855.db2.gz XCSCRCXSDKMCGG-INIZCTEOSA-N 0 0 322.412 3.486 50 70 DGIARN COc1cc(Cl)ccc1C(=O)N[C@@H](C)Cc1cccnc1 ZINC000217736231 201524704 /nfs/dbraw/zinc/52/47/04/201524704.db2.gz CPSARZUBSWTTNY-NSHDSACASA-N 0 0 304.777 3.105 50 70 DGIARN Cn1c(=O)cc(C(=O)N2CCC[C@@H]2c2ccco2)c2ccccc21 ZINC000217729054 201524930 /nfs/dbraw/zinc/52/49/30/201524930.db2.gz WFIYLGWEWPSQKW-MRXNPFEDSA-N 0 0 322.364 3.109 50 70 DGIARN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C3CC3)nc(C)n1)C2 ZINC000159900287 197371754 /nfs/dbraw/zinc/37/17/54/197371754.db2.gz RUIZOIVCPQJMDC-KRWDZBQOSA-N 0 0 323.396 3.221 50 70 DGIARN COC(=O)CCCC(=O)Nc1cc(C)ccc1Br ZINC000159518700 197360343 /nfs/dbraw/zinc/36/03/43/197360343.db2.gz NXXRVEYJKLGIRJ-UHFFFAOYSA-N 0 0 314.179 3.039 50 70 DGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1c[nH]c2ccccc12 ZINC000218218720 400950459 /nfs/dbraw/zinc/95/04/59/400950459.db2.gz IMPFOSUTOBOPPT-UHFFFAOYSA-N 0 0 324.384 3.043 50 70 DGIARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1ccc(N)nc1 ZINC000217125196 432654154 /nfs/dbraw/zinc/65/41/54/432654154.db2.gz XGXPYENGRVXKIH-LJQANCHMSA-N 0 0 309.413 3.104 50 70 DGIARN O=C(/C=C/c1ccco1)NCCn1ccc(-c2ccsc2)n1 ZINC000217882813 432656561 /nfs/dbraw/zinc/65/65/61/432656561.db2.gz NVOHGSTWYSENOO-ONEGZZNKSA-N 0 0 313.382 3.034 50 70 DGIARN Cc1cccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 ZINC000217984455 432658576 /nfs/dbraw/zinc/65/85/76/432658576.db2.gz MPJNJGKSYIJLEB-FQEVSTJZSA-N 0 0 323.392 3.308 50 70 DGIARN CC(C)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217992049 432658877 /nfs/dbraw/zinc/65/88/77/432658877.db2.gz FKYCSSAITMFPRU-KRWDZBQOSA-N 0 0 306.365 3.457 50 70 biogenic DGIARN CC[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CCCCC2)[C@@H]2CCO[C@H]12 ZINC000218696337 432659738 /nfs/dbraw/zinc/65/97/38/432659738.db2.gz SIGIJZJMPJYHGG-DLTLXFJOSA-N 0 0 317.433 3.001 50 70 DGIARN CCCCc1cc(NC(=O)c2ccncc2Br)n[nH]1 ZINC000159672687 186134847 /nfs/dbraw/zinc/13/48/47/186134847.db2.gz OXQOXPMYELAUHW-UHFFFAOYSA-N 0 0 323.194 3.162 50 70 DGIARN O=C(Nc1ccccc1Cl)N[C@H]1CCN(c2ccccn2)C1 ZINC000159750346 186139106 /nfs/dbraw/zinc/13/91/06/186139106.db2.gz UMRTXWAWYBCGLZ-LBPRGKRZSA-N 0 0 316.792 3.135 50 70 DGIARN CC(C)[C@@H](C(=O)NCCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000217101828 201509354 /nfs/dbraw/zinc/50/93/54/201509354.db2.gz VNUPYWKCDVKZFP-OAHLLOKOSA-N 0 0 305.809 3.162 50 70 DGIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000217831870 201525838 /nfs/dbraw/zinc/52/58/38/201525838.db2.gz WFWBXIIEHOAKLL-CXAGYDPISA-N 0 0 302.418 3.014 50 70 biogenic DGIARN CC(C)[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C ZINC000218298905 201537026 /nfs/dbraw/zinc/53/70/26/201537026.db2.gz BLBFZFWBOABHHC-INIZCTEOSA-N 0 0 308.385 3.095 50 70 DGIARN Cc1nc(NC(=O)C[C@H]2OCCc3ccccc32)cc(C2CC2)n1 ZINC000160261700 197396936 /nfs/dbraw/zinc/39/69/36/197396936.db2.gz NZCFOGBDQDRNLU-QGZVFWFLSA-N 0 0 323.396 3.305 50 70 DGIARN Cc1cc(C)cc(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)c1 ZINC000159878935 197370537 /nfs/dbraw/zinc/37/05/37/197370537.db2.gz QZYQTFJWXOCMNT-AWEZNQCLSA-N 0 0 314.389 3.180 50 70 DGIARN CN(Cc1cc[nH]n1)C(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000217158993 432655328 /nfs/dbraw/zinc/65/53/28/432655328.db2.gz RROOTFQMZXNQHU-UHFFFAOYSA-N 0 0 319.474 3.070 50 70 DGIARN C[C@@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2s1 ZINC000217506833 432656119 /nfs/dbraw/zinc/65/61/19/432656119.db2.gz DSPMTWOUYXQNDR-MRXNPFEDSA-N 0 0 301.367 3.132 50 70 DGIARN O=C(NCC[C@@H](O)c1ccsc1)c1cc2ccccc2o1 ZINC000217527641 432656655 /nfs/dbraw/zinc/65/66/55/432656655.db2.gz RIMWXFOVTCOGMM-CYBMUJFWSA-N 0 0 301.367 3.348 50 70 DGIARN O=C(Cc1cccnc1)N1CCCC[C@H]1CCc1ccccn1 ZINC000218262553 432658362 /nfs/dbraw/zinc/65/83/62/432658362.db2.gz GRMOGIHYCLPFAJ-SFHVURJKSA-N 0 0 309.413 3.033 50 70 DGIARN C[C@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 ZINC000217984316 432659296 /nfs/dbraw/zinc/65/92/96/432659296.db2.gz YZZCGAWYPPMFNZ-SGWGQVFISA-N 0 0 321.376 3.470 50 70 DGIARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1ccc(N)nc1 ZINC000217125206 201509594 /nfs/dbraw/zinc/50/95/94/201509594.db2.gz XGXPYENGRVXKIH-IBGZPJMESA-N 0 0 309.413 3.104 50 70 DGIARN Cc1cc(Oc2ccc(NC(=O)c3cncc(F)c3)cc2)n[nH]1 ZINC000160507498 228246880 /nfs/dbraw/zinc/24/68/80/228246880.db2.gz ODUBMESUWCGZPJ-UHFFFAOYSA-N 0 0 312.304 3.297 50 70 DGIARN COc1cccc(F)c1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000217195853 432655338 /nfs/dbraw/zinc/65/53/38/432655338.db2.gz AWUSKYRUCCIBNT-AWEZNQCLSA-N 0 0 300.333 3.207 50 70 DGIARN O=C(NC[C@](O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1 ZINC000217576731 432656691 /nfs/dbraw/zinc/65/66/91/432656691.db2.gz RDUFQOFMLFOCRE-FQEVSTJZSA-N 0 0 320.392 3.196 50 70 DGIARN C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 ZINC000217994839 432658058 /nfs/dbraw/zinc/65/80/58/432658058.db2.gz MNMLKBVXVKWGAH-DKFQHHCZSA-N 0 0 311.337 3.063 50 70 DGIARN CC(C)Cc1cc(CNC(=O)c2cc3ccccc3cn2)on1 ZINC000218141229 432658231 /nfs/dbraw/zinc/65/82/31/432658231.db2.gz QZIDMKWNJZNQJQ-UHFFFAOYSA-N 0 0 309.369 3.351 50 70 DGIARN CC(C)c1nccc(CN(C)[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000217988415 432658998 /nfs/dbraw/zinc/65/89/98/432658998.db2.gz PLYWXRASSRJDDB-SFHVURJKSA-N 0 0 312.461 3.335 50 70 DGIARN O=C(COc1ccc2ccccc2c1)NCCC[C@H]1CCOC1 ZINC000218046226 432659284 /nfs/dbraw/zinc/65/92/84/432659284.db2.gz YFHVZSNKYSQLOP-HNNXBMFYSA-N 0 0 313.397 3.152 50 70 DGIARN CCc1ccc(S(=O)(=O)N[C@H](CC)c2nccs2)s1 ZINC000159925099 432701607 /nfs/dbraw/zinc/70/16/07/432701607.db2.gz UBVHFMCYQOKHKV-SNVBAGLBSA-N 0 0 316.473 3.197 50 70 DGIARN COc1ccc(N(C)C(=O)COc2ccc(C)cc2C)cc1F ZINC000159678165 186135211 /nfs/dbraw/zinc/13/52/11/186135211.db2.gz NJHHGYOJFOBFNA-UHFFFAOYSA-N 0 0 317.360 3.493 50 70 DGIARN CN(C)[C@H](C(=O)NC1(c2ccccc2)CC1)c1cccc(F)c1 ZINC000218600372 257274013 /nfs/dbraw/zinc/27/40/13/257274013.db2.gz BNKYCSBVCMVYDQ-KRWDZBQOSA-N 0 0 312.388 3.234 50 70 DGIARN CCN(C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1ncc[nH]1 ZINC000161139609 400739023 /nfs/dbraw/zinc/73/90/23/400739023.db2.gz GWSPKFSVCQXJQQ-UHFFFAOYSA-N 0 0 315.373 3.133 50 70 DGIARN COc1ccccc1[C@@H]1CC(=O)Oc2ccc(C(C)=O)c(O)c21 ZINC000217837010 278060185 /nfs/dbraw/zinc/06/01/85/278060185.db2.gz FYBMJDPWEOAICC-ZDUSSCGKSA-N 0 0 312.321 3.044 50 70 biogenic DGIARN Cc1cc(C(=O)N2CCC[C@H](c3ccccc3C)C2)cc(=O)[nH]1 ZINC000217196488 432654511 /nfs/dbraw/zinc/65/45/11/432654511.db2.gz LKECZSVVIPEWMP-HNNXBMFYSA-N 0 0 310.397 3.012 50 70 DGIARN COc1ccccc1[C@H]1CC(=O)Oc2ccc(C(C)=O)c(O)c21 ZINC000217837094 432656861 /nfs/dbraw/zinc/65/68/61/432656861.db2.gz FYBMJDPWEOAICC-CYBMUJFWSA-N 0 0 312.321 3.044 50 70 biogenic DGIARN O=C(Nc1ccccc1-c1cn2ccccc2n1)C1CCOCC1 ZINC000217652605 432657082 /nfs/dbraw/zinc/65/70/82/432657082.db2.gz BKXXTPMSDQUDCB-UHFFFAOYSA-N 0 0 321.380 3.366 50 70 DGIARN Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H]2c2ccccn2)n1 ZINC000217925253 432657311 /nfs/dbraw/zinc/65/73/11/432657311.db2.gz OWRKENVJPCSEBS-SFHVURJKSA-N 0 0 324.428 3.356 50 70 DGIARN CSc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218029904 432657865 /nfs/dbraw/zinc/65/78/65/432657865.db2.gz QKZSYSWYXPKVLA-GFCCVEGCSA-N 0 0 302.351 3.111 50 70 biogenic DGIARN Cc1cccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 ZINC000217984533 432657975 /nfs/dbraw/zinc/65/79/75/432657975.db2.gz MPJNJGKSYIJLEB-HXUWFJFHSA-N 0 0 323.392 3.308 50 70 DGIARN O=C(Cc1cccnc1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000218262488 432658032 /nfs/dbraw/zinc/65/80/32/432658032.db2.gz GRMOGIHYCLPFAJ-GOSISDBHSA-N 0 0 309.413 3.033 50 70 DGIARN O=C(c1n[nH]c2c1CCCCC2)N1CCCC[C@H]1c1cccnc1 ZINC000218074229 432658267 /nfs/dbraw/zinc/65/82/67/432658267.db2.gz ZHLUKQHYEZCUSZ-KRWDZBQOSA-N 0 0 324.428 3.441 50 70 biogenic DGIARN O=C(CC1(n2cccc2)CCOCC1)NCCC1=CCCCC1 ZINC000218205127 432658815 /nfs/dbraw/zinc/65/88/15/432658815.db2.gz GYODPBMJNLOTGN-UHFFFAOYSA-N 0 0 316.445 3.391 50 70 DGIARN O=C(CC1CCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000217994479 432659184 /nfs/dbraw/zinc/65/91/84/432659184.db2.gz DQRDAYUDEZXJPG-QZTJIDSGSA-N 0 0 317.429 3.057 50 70 DGIARN Cc1ccc(C(=O)CCN2CCO[C@H](c3nccs3)C2)cc1 ZINC000159611039 186130664 /nfs/dbraw/zinc/13/06/64/186130664.db2.gz GNTNBCDBVSWBNW-INIZCTEOSA-N 0 0 316.426 3.098 50 70 DGIARN O=C(NCCSC1CCOCC1)Nc1ccccc1Cl ZINC000217708297 201521995 /nfs/dbraw/zinc/52/19/95/201521995.db2.gz KNLHHEPYBCYEPT-UHFFFAOYSA-N 0 0 314.838 3.374 50 70 DGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccccc1 ZINC000217712769 400950597 /nfs/dbraw/zinc/95/05/97/400950597.db2.gz DCSXKKOAMRALJU-XYPWUTKMSA-N 0 0 304.459 3.297 50 70 DGIARN CSc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218029824 286728843 /nfs/dbraw/zinc/72/88/43/286728843.db2.gz QKZSYSWYXPKVLA-LBPRGKRZSA-N 0 0 302.351 3.111 50 70 biogenic DGIARN Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)c2ccc(Cl)cc2n1 ZINC000217068181 278649506 /nfs/dbraw/zinc/64/95/06/278649506.db2.gz QXJSIEQDQVVZLX-WQVCFCJDSA-N 0 0 316.788 3.104 50 70 DGIARN O=C1C[C@H](c2ccnc3ccccc32)c2cc3c(cc2O1)OCO3 ZINC000217695228 280274231 /nfs/dbraw/zinc/27/42/31/280274231.db2.gz NUKXOXYUQLLJRG-CYBMUJFWSA-N 0 0 319.316 3.405 50 70 biogenic DGIARN COc1cccc(-c2ccc(C(=O)NCC3(C)COC3)cc2)c1 ZINC000217859722 432656333 /nfs/dbraw/zinc/65/63/33/432656333.db2.gz VXAFAWPWZFBSRV-UHFFFAOYSA-N 0 0 311.381 3.129 50 70 DGIARN Cc1cc(C)c(C)c2occ(CC(=O)N[C@@H]3C[C@@H]4OCC[C@H]34)c21 ZINC000217826867 432656696 /nfs/dbraw/zinc/65/66/96/432656696.db2.gz XZUQJLKKILIBNP-OAGGEKHMSA-N 0 0 313.397 3.194 50 70 DGIARN CO[C@H](CNC(=O)/C=C/c1ccoc1)c1ccccc1Cl ZINC000218327973 432658172 /nfs/dbraw/zinc/65/81/72/432658172.db2.gz DZFLGKDSDAFMBY-LQYUOIDQSA-N 0 0 305.761 3.450 50 70 DGIARN COc1ccc(Cl)cc1C(=O)Nc1ccn2nccc2c1 ZINC000217953736 432659228 /nfs/dbraw/zinc/65/92/28/432659228.db2.gz BYYMEFQVWBQTLG-UHFFFAOYSA-N 0 0 301.733 3.249 50 70 DGIARN O=C(Cn1ccnc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000218676758 432660542 /nfs/dbraw/zinc/66/05/42/432660542.db2.gz PUYKKKRWXOJNFX-MRXNPFEDSA-N 0 0 301.365 3.166 50 70 DGIARN CCOc1ccc2nc(-n3ncc4ccccc4c3=O)sc2c1 ZINC000216736019 201498708 /nfs/dbraw/zinc/49/87/08/201498708.db2.gz WFNPHWUDOXHEIU-UHFFFAOYSA-N 0 0 323.377 3.394 50 70 DGIARN C[C@@H](c1nccs1)N(C)C(=O)c1ccc(SCCO)cc1 ZINC000217067203 201508602 /nfs/dbraw/zinc/50/86/02/201508602.db2.gz FKHQKXRJPUMKLC-NSHDSACASA-N 0 0 322.455 3.061 50 70 DGIARN O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CC(Oc2ccccc2F)C1 ZINC000217495447 201517193 /nfs/dbraw/zinc/51/71/93/201517193.db2.gz GJNQVXPITRTZKO-RDBSUJKOSA-N 0 0 301.361 3.018 50 70 DGIARN O=C(Nc1cnn(CC2CCOCC2)c1)OCc1ccccc1 ZINC000218231760 400950670 /nfs/dbraw/zinc/95/06/70/400950670.db2.gz JDCRFGXTZTXEJO-UHFFFAOYSA-N 0 0 315.373 3.058 50 70 DGIARN CCOc1ccc(C(=O)NCCc2c(C)[nH]c3ccccc32)o1 ZINC000217182576 432654363 /nfs/dbraw/zinc/65/43/63/432654363.db2.gz XYEOSURBDSLLII-UHFFFAOYSA-N 0 0 312.369 3.441 50 70 DGIARN O=C(c1ncccc1O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000217867559 432656090 /nfs/dbraw/zinc/65/60/90/432656090.db2.gz SJAZWODOYXZOPK-CQSZACIVSA-N 0 0 322.368 3.031 50 70 DGIARN CC(C)[C@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C ZINC000218130920 432659243 /nfs/dbraw/zinc/65/92/43/432659243.db2.gz GEXRKMFOJZATAX-INIZCTEOSA-N 0 0 308.385 3.095 50 70 DGIARN O=C(NCCc1ccncc1)N1CCC(Cc2ccccc2)CC1 ZINC000218758689 432659840 /nfs/dbraw/zinc/65/98/40/432659840.db2.gz RKKDKCJDMDGDNX-UHFFFAOYSA-N 0 0 323.440 3.288 50 70 DGIARN c1ccc([SiH](c2ccccc2)c2cccc3ccccc32)cc1 ZINC000169817104 546099160 /nfs/dbraw/zinc/09/91/60/546099160.db2.gz HPYPEMOPUMWTPS-UHFFFAOYSA-N 0 0 310.472 3.088 50 70 DGIARN Cc1nn(C)c2nc3c(c(C(=O)Nc4ccccc4)c12)CCC3 ZINC000218454514 282286074 /nfs/dbraw/zinc/28/60/74/282286074.db2.gz NDHMHLIJXCZXEK-UHFFFAOYSA-N 0 0 306.369 3.018 50 70 DGIARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC[C@H]1c1cccnc1 ZINC000218029719 201529272 /nfs/dbraw/zinc/52/92/72/201529272.db2.gz UHKGUHBRKSZOLG-INIZCTEOSA-N 0 0 322.368 3.432 50 70 biogenic DGIARN O=C(c1cnco1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000218095930 201531685 /nfs/dbraw/zinc/53/16/85/201531685.db2.gz BLAHVCSIJHSMIT-CQSZACIVSA-N 0 0 300.358 3.008 50 70 DGIARN Cc1nccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1Cl ZINC000159395969 197350505 /nfs/dbraw/zinc/35/05/05/197350505.db2.gz SHOYNQXKTXEOJT-HONMWMINSA-N 0 0 321.808 3.123 50 70 DGIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)O2 ZINC000218029113 292000966 /nfs/dbraw/zinc/00/09/66/292000966.db2.gz CSICYHUCDQRYSO-CQSZACIVSA-N 0 0 314.337 3.176 50 70 biogenic DGIARN Cc1cc(C(=O)Nc2cccc(F)n2)nn1-c1cccc(F)c1 ZINC000160644271 400734847 /nfs/dbraw/zinc/73/48/47/400734847.db2.gz PKTAXIKEZYNYRG-UHFFFAOYSA-N 0 0 314.295 3.106 50 70 DGIARN COc1ccc(C(=O)N2CC(Oc3ccc(F)cc3)C2)cc1C ZINC000216921392 432652681 /nfs/dbraw/zinc/65/26/81/432652681.db2.gz AIACTCCBHIIKHK-UHFFFAOYSA-N 0 0 315.344 3.046 50 70 DGIARN C[C@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2s1 ZINC000217506922 432657266 /nfs/dbraw/zinc/65/72/66/432657266.db2.gz DSPMTWOUYXQNDR-INIZCTEOSA-N 0 0 301.367 3.132 50 70 DGIARN CC(C)c1nccc(CN(C)[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000217988497 432658705 /nfs/dbraw/zinc/65/87/05/432658705.db2.gz PLYWXRASSRJDDB-GOSISDBHSA-N 0 0 312.461 3.335 50 70 DGIARN COc1c(C)n(Cc2cccc(OC(F)(F)F)c2)ccc1=O ZINC000218614915 432660516 /nfs/dbraw/zinc/66/05/16/432660516.db2.gz ASDKCLDDLJNUKP-UHFFFAOYSA-N 0 0 313.275 3.112 50 70 DGIARN Cc1cc(C)cc(NC(=O)Nc2ccnn2C[C@H]2CCOC2)c1 ZINC000159879070 432699950 /nfs/dbraw/zinc/69/99/50/432699950.db2.gz QZYQTFJWXOCMNT-CQSZACIVSA-N 0 0 314.389 3.180 50 70 DGIARN O=C(Nc1ccccc1Cl)N[C@@H]1CCN(c2ccccn2)C1 ZINC000159750227 186139076 /nfs/dbraw/zinc/13/90/76/186139076.db2.gz UMRTXWAWYBCGLZ-GFCCVEGCSA-N 0 0 316.792 3.135 50 70 DGIARN CSc1ncccc1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000218474431 201538455 /nfs/dbraw/zinc/53/84/55/201538455.db2.gz BMIRMAWDRCSGCX-LBPRGKRZSA-N 0 0 303.387 3.077 50 70 DGIARN CCOC(=O)C[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000160397707 197405823 /nfs/dbraw/zinc/40/58/23/197405823.db2.gz UVBVBINSYNBQAX-SECBINFHSA-N 0 0 309.749 3.158 50 70 DGIARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2cc3c(cc2O1)OCO3 ZINC000218223798 284835953 /nfs/dbraw/zinc/83/59/53/284835953.db2.gz QGJQENBMAVCHJE-VIFPVBQESA-N 0 0 304.248 3.135 50 70 DGIARN O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2cc3c(cc2O1)OCO3 ZINC000218389249 296349386 /nfs/dbraw/zinc/34/93/86/296349386.db2.gz WIRQWUACXCGBST-MRVPVSSYSA-N 0 0 322.238 3.274 50 70 DGIARN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000160947626 256588147 /nfs/dbraw/zinc/58/81/47/256588147.db2.gz FDIARICDPCCCHU-NSHDSACASA-N 0 0 315.335 3.384 50 70 DGIARN Cn1cnc2cc(C(=O)N(CC3CCCCC3)C3CC3)cnc21 ZINC000159711825 400731370 /nfs/dbraw/zinc/73/13/70/400731370.db2.gz VSNSHJWGOAFWON-UHFFFAOYSA-N 0 0 312.417 3.153 50 70 DGIARN COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 ZINC000217893314 286360234 /nfs/dbraw/zinc/36/02/34/286360234.db2.gz LUFUSSPDMKNSMV-AWEZNQCLSA-N 0 0 312.321 3.044 50 70 biogenic DGIARN CCCOc1ccc(C(=O)N(C)CCc2c(C)n[nH]c2C)cc1 ZINC000216965343 432652328 /nfs/dbraw/zinc/65/23/28/432652328.db2.gz UDDJTRNJGSPTCX-UHFFFAOYSA-N 0 0 315.417 3.130 50 70 DGIARN CSc1ccccc1C(=O)N[C@@H](C)c1nnc(C(C)C)o1 ZINC000217054213 432654024 /nfs/dbraw/zinc/65/40/24/432654024.db2.gz FDPKSSWSCAORLX-JTQLQIEISA-N 0 0 305.403 3.406 50 70 DGIARN O=C(c1ncccc1O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000217867637 432656050 /nfs/dbraw/zinc/65/60/50/432656050.db2.gz SJAZWODOYXZOPK-AWEZNQCLSA-N 0 0 322.368 3.031 50 70 DGIARN O=C([C@H]1CC=CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217658052 432656630 /nfs/dbraw/zinc/65/66/30/432656630.db2.gz JPNHCSPTZHIAPW-IRXDYDNUSA-N 0 0 322.412 3.075 50 70 DGIARN CCOC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217878072 432656789 /nfs/dbraw/zinc/65/67/89/432656789.db2.gz OOBOWXXCXCLQJF-UHFFFAOYSA-N 0 0 305.403 3.235 50 70 DGIARN CC(C)C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C ZINC000218358213 432658804 /nfs/dbraw/zinc/65/88/04/432658804.db2.gz VUHNYBBLZRMTSF-INIZCTEOSA-N 0 0 322.412 3.486 50 70 DGIARN CC(C)C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C ZINC000218388875 432658993 /nfs/dbraw/zinc/65/89/93/432658993.db2.gz WPKKJJXXCPRMRT-INIZCTEOSA-N 0 0 322.412 3.486 50 70 DGIARN CSc1ncccc1C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000218474331 432659167 /nfs/dbraw/zinc/65/91/67/432659167.db2.gz BMIRMAWDRCSGCX-GFCCVEGCSA-N 0 0 303.387 3.077 50 70 DGIARN CC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C1 ZINC000218509152 432659858 /nfs/dbraw/zinc/65/98/58/432659858.db2.gz MVJKVXPYVPIGHF-GLQYFDAESA-N 0 0 307.821 3.037 50 70 DGIARN CCCc1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccccn2)o1 ZINC000218665356 432660427 /nfs/dbraw/zinc/66/04/27/432660427.db2.gz LDCJRQHNFFFEBP-IBGZPJMESA-N 0 0 322.412 3.498 50 70 DGIARN O=C(Cn1ccnc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000218676825 432660754 /nfs/dbraw/zinc/66/07/54/432660754.db2.gz PUYKKKRWXOJNFX-INIZCTEOSA-N 0 0 301.365 3.166 50 70 DGIARN COC(=O)CCCC(=O)Nc1cccc(C)c1Br ZINC000160626861 432732495 /nfs/dbraw/zinc/73/24/95/432732495.db2.gz PKISMNPIFZQKBJ-UHFFFAOYSA-N 0 0 314.179 3.039 50 70 DGIARN O=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1Cl ZINC000217529289 201519339 /nfs/dbraw/zinc/51/93/39/201519339.db2.gz DXBGOWOOMKTIQC-LBPRGKRZSA-N 0 0 313.781 3.394 50 70 DGIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccsc1 ZINC000217887172 201527547 /nfs/dbraw/zinc/52/75/47/201527547.db2.gz RXDFJHYHPWONGU-UHFFFAOYSA-N 0 0 303.412 3.103 50 70 DGIARN CCCn1ncnc1[C@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC000218768095 201544007 /nfs/dbraw/zinc/54/40/07/201544007.db2.gz MLLHQPMROHWBKM-NSHDSACASA-N 0 0 306.797 3.141 50 70 DGIARN O=C(NCc1cccc(C(F)(F)F)c1F)[C@H]1CCC[C@@H](O)C1 ZINC000218740647 201542347 /nfs/dbraw/zinc/54/23/47/201542347.db2.gz ABDIVIKNYRBGOQ-GXSJLCMTSA-N 0 0 319.298 3.012 50 70 DGIARN CC(=O)c1cccc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000217119946 432654837 /nfs/dbraw/zinc/65/48/37/432654837.db2.gz YSVNXWZCHQMPAM-LJQANCHMSA-N 0 0 322.408 3.018 50 70 DGIARN CCNc1nc(C)c(C(=O)N[C@H](C)c2csc(C)n2)s1 ZINC000217609288 432656432 /nfs/dbraw/zinc/65/64/32/432656432.db2.gz LPCQHUCRZSYWJH-SSDOTTSWSA-N 0 0 310.448 3.139 50 70 DGIARN CC[C@@H](C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1 ZINC000217528179 432656732 /nfs/dbraw/zinc/65/67/32/432656732.db2.gz IHJOBUPLNDBMBP-HZPDHXFCSA-N 0 0 303.427 3.482 50 70 DGIARN C[C@@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 ZINC000217983693 432658289 /nfs/dbraw/zinc/65/82/89/432658289.db2.gz LLRCPNMHLACHGO-GFOMBABLSA-N 0 0 311.337 3.063 50 70 DGIARN Cn1c(C(=O)NCCc2ccccn2)cc2ccc(Cl)cc21 ZINC000218182877 432658697 /nfs/dbraw/zinc/65/86/97/432658697.db2.gz CNWNYQPQSZFADH-UHFFFAOYSA-N 0 0 313.788 3.199 50 70 DGIARN COCC1(CNC(=O)CSc2cccc(OC)c2)CCCC1 ZINC000218774620 432659949 /nfs/dbraw/zinc/65/99/49/432659949.db2.gz KXIBHCWIAVXQGW-UHFFFAOYSA-N 0 0 323.458 3.110 50 70 DGIARN CCC[C@H](NC(=O)c1ccccc1SC)c1nccn1C ZINC000218722234 432660643 /nfs/dbraw/zinc/66/06/43/432660643.db2.gz RQUWENPICPSNEF-ZDUSSCGKSA-N 0 0 303.431 3.413 50 70 DGIARN Cc1cc2c(c(=O)o1)[C@@H](c1c(F)cccc1Cl)CC(=O)O2 ZINC000218480277 301435965 /nfs/dbraw/zinc/43/59/65/301435965.db2.gz VDDHPJJIUVHEJG-MRVPVSSYSA-N 0 0 308.692 3.182 50 70 DGIARN