smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN1CCSCC1 ZINC000026166208 202139877 /nfs/dbraw/zinc/13/98/77/202139877.db2.gz LIDCCPLQDDNRQP-SFHVURJKSA-N 0 0 348.512 2.797 1 10 EFCFRN [18F]c1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000102906873 204054542 /nfs/dbraw/zinc/05/45/42/204054542.db2.gz OEFFTIMBYVFOPK-LRFGSCOBSA-N 0 0 327.390 2.919 1 10 EFCFRN O=C1c2ccccc2C(=O)C1C1=NC(=O)N[C@H](c2ccccc2O)C1 ZINC000103065516 204060251 /nfs/dbraw/zinc/06/02/51/204060251.db2.gz XDUIXEUPQVPBSO-ZDUSSCGKSA-N 0 0 334.331 2.683 1 10 EFCFRN C[C@H]1CC[C@@H]2C(COC(=O)/C=C/c3ccc(O)c(O)c3)=CO[C@@H](O)[C@H]12 ZINC000084154210 560046114 /nfs/dbraw/zinc/04/61/14/560046114.db2.gz UCVCMZDDRNSEDX-NMVCSJPFSA-N 0 0 346.379 2.549 1 10 biogenic,in-vitro EFCFRN COc1ccc2c(c1O)[C@@H]1Cc3cc(O)c(OC)cc3C[N+]1([O-])CC2 ZINC000013383912 717107757 /nfs/dbraw/zinc/10/77/57/717107757.db2.gz RFIKLKGLLDYNEB-PVCZSOGJSA-N 0 0 343.379 2.783 1 10 EFCFRN Cc1cc(C)nc(-n2nc(N)c(/N=N/c3ccc(F)cc3)c2N)n1 ZINC000098084150 219081035 /nfs/dbraw/zinc/08/10/35/219081035.db2.gz QALVQTQDMFCYBD-QURGRASLSA-N 0 0 326.339 2.998 1 10 EFCFRN O=C1CSC(=S)N1Cc1nnc(-c2ccccc2Cl)o1 ZINC000103265652 219279376 /nfs/dbraw/zinc/27/93/76/219279376.db2.gz FDWBONZIBSYPTO-UHFFFAOYSA-N 0 0 325.802 2.750 1 10 EFCFRN Oc1ccccc1CNc1ncnc2c1ncn2[C@H]1CCCCO1 ZINC000040915808 213399979 /nfs/dbraw/zinc/39/99/79/213399979.db2.gz IXRFBXWSADAWMQ-CQSZACIVSA-N 0 0 325.372 2.843 1 10 EFCFRN COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 ZINC000169306253 533011813 /nfs/dbraw/zinc/01/18/13/533011813.db2.gz URQVNWRSGALGBH-TYNCELHUSA-N 0 0 340.345 2.922 3 10 EFCFRN Oc1cc2c(cc1O)CN(C(=S)NCCc1ccccc1)CCC2 ZINC000029132735 1099460142 /nfs/dbraw/zinc/46/01/42/1099460142.db2.gz QRNMAXQGMAXWLC-UHFFFAOYSA-N 0 0 342.464 2.963 1 10 EFCFRN Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F] ZINC000102906356 219241007 /nfs/dbraw/zinc/24/10/07/219241007.db2.gz SXICCGPFVRVNMD-LRFGSCOBSA-N 0 0 343.389 2.625 1 10 EFCFRN COc1ccc([C@@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 ZINC000103066535 219251558 /nfs/dbraw/zinc/25/15/58/219251558.db2.gz KBNRKRBZDPXMCQ-HNNXBMFYSA-N 0 0 348.358 2.986 1 10 EFCFRN CO[C@]12C(=C(C3CC3)C1c1cncnc1)C(=O)c1ccccc1C2=O ZINC000103152133 219262980 /nfs/dbraw/zinc/26/29/80/219262980.db2.gz VQBVCVBIKPSGSG-PXNSSMCTSA-N 0 0 332.359 2.734 1 10 EFCFRN Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c1cccc2Cl ZINC000036338798 213086056 /nfs/dbraw/zinc/08/60/56/213086056.db2.gz JYBFSCWKBNIHOJ-XFFZJAGNSA-N 0 0 337.770 2.539 1 10 EFCFRN Nc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1 ZINC000027735366 212575358 /nfs/dbraw/zinc/57/53/58/212575358.db2.gz KZIVATWWPPVQOF-UHFFFAOYSA-N 0 0 331.383 2.790 1 10 EFCFRN CC1=NN(c2ccc(Br)cc2Br)C(=O)C1=O ZINC000103294290 219285724 /nfs/dbraw/zinc/28/57/24/219285724.db2.gz RJKFGHVQZZYPSR-UHFFFAOYSA-N 0 0 345.978 2.503 1 10 EFCFRN CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(N)cc1 ZINC000029468987 212667890 /nfs/dbraw/zinc/66/78/90/212667890.db2.gz KYOIJVWABZUHRV-UHFFFAOYSA-N 0 0 336.321 2.542 1 10 EFCFRN Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F ZINC000073158005 216358745 /nfs/dbraw/zinc/35/87/45/216358745.db2.gz SXICCGPFVRVNMD-UHFFFAOYSA-N 0 0 344.386 2.625 1 10 EFCFRN COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1C2 ZINC000043023227 213552531 /nfs/dbraw/zinc/55/25/31/213552531.db2.gz QDELRKZETAHHEG-PJFSTRORSA-N 0 0 328.364 2.763 1 10 EFCFRN CO[C@@]12C(=C(C3CC3)C1c1cncnc1)C(=O)c1ccccc1C2=O ZINC000096934713 218902154 /nfs/dbraw/zinc/90/21/54/218902154.db2.gz VQBVCVBIKPSGSG-YLJYHZDGSA-N 0 0 332.359 2.734 1 10 EFCFRN COc1ccc([C@H]2CC(=O)c3c(O)c(O)c(OC)cc3O2)cc1OC ZINC000095910708 560058492 /nfs/dbraw/zinc/05/84/92/560058492.db2.gz UOCMSMUZLBMNRP-GFCCVEGCSA-N 0 0 346.335 2.830 1 10 biogenic,in-vitro EFCFRN COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)CC2=O ZINC000014643827 290980097 /nfs/dbraw/zinc/98/00/97/290980097.db2.gz LWMYXRBELIIBKN-ZDUSSCGKSA-N 0 0 332.308 2.527 1 10 biogenic,in-vitro EFCFRN COc1cc(OC)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1O ZINC000015113633 290980108 /nfs/dbraw/zinc/98/01/08/290980108.db2.gz PAGBIWRSIJRQBS-UHFFFAOYSA-N 0 0 330.292 2.594 1 10 biogenic,in-vitro EFCFRN CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1 ZINC000026398916 202142836 /nfs/dbraw/zinc/14/28/36/202142836.db2.gz CQDSIOOEDHNMMW-OAHLLOKOSA-N 0 0 337.832 2.809 1 10 EFCFRN COc1ccc([C@@H]2C[C@H](c3ccccc3O)NN2C(C)=O)cc1OC ZINC000028137025 202165350 /nfs/dbraw/zinc/16/53/50/202165350.db2.gz VRWFAJSOLIRHDX-CVEARBPZSA-N 0 0 342.395 2.949 1 10 EFCFRN COc1ccc(C2=NN[C@@]3(S2)c2ccc(C)cc2NC3=O)cc1 ZINC000028824746 202177427 /nfs/dbraw/zinc/17/74/27/202177427.db2.gz CCZABUCLUWARCL-QGZVFWFLSA-N 0 0 325.393 2.807 1 10 EFCFRN Cc1ccc(-c2cnnc(N3CC[C@H](c4ccc(O)c(O)c4)C3)n2)o1 ZINC000103224716 204067417 /nfs/dbraw/zinc/06/74/17/204067417.db2.gz KJSQMAGJTVYNTC-ZDUSSCGKSA-N 0 0 338.367 2.845 1 10 EFCFRN O=C1CSC(=S)N1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000103265635 204070283 /nfs/dbraw/zinc/07/02/83/204070283.db2.gz WHYORFONBBCSRM-UHFFFAOYSA-N 0 0 325.802 2.750 1 10 EFCFRN COc1cc2occ(-c3cccc(O)c3OC)c(=O)c2c(O)c1O ZINC000014645876 560223611 /nfs/dbraw/zinc/22/36/11/560223611.db2.gz QVKHUFGXDVBHGN-UHFFFAOYSA-N 0 0 330.292 2.594 1 10 biogenic,in-vitro EFCFRN COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)cc1 ZINC000014645381 560223626 /nfs/dbraw/zinc/22/36/26/560223626.db2.gz VPLTZBCCUJNRIE-UHFFFAOYSA-N 0 0 344.319 2.897 1 10 biogenic,in-vitro EFCFRN COC(=O)c1cnn2c1[nH]c(C)c(Cc1ccc(F)cc1Cl)c2=O ZINC000008772817 211003327 /nfs/dbraw/zinc/00/33/27/211003327.db2.gz RWAYAYWDGUNNTR-UHFFFAOYSA-N 0 0 349.749 2.913 1 10 EFCFRN COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)C3 ZINC000003794375 560189515 /nfs/dbraw/zinc/18/95/15/560189515.db2.gz IAWMODONDSIOEK-VIFPVBQESA-N 0 0 336.343 2.941 1 10 in-vitro EFCFRN COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)[C@H]3O ZINC000006037372 560204767 /nfs/dbraw/zinc/20/47/67/560204767.db2.gz MUNUJAJWLPOQBH-NIVTXAMTSA-N 0 0 336.343 2.727 1 10 in-vitro EFCFRN Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)c(O)c2)cc1O ZINC000014727130 560225054 /nfs/dbraw/zinc/22/50/54/560225054.db2.gz OQSOTSIYXPYTRE-YDOWWZDFSA-N 0 0 330.336 2.584 1 10 biogenic,in-vitro EFCFRN COc1cccc2c1-c1c3c(c(OC)c4c1C(=NCC4)C2=O)OCO3 ZINC000040865121 213394604 /nfs/dbraw/zinc/39/46/04/213394604.db2.gz CDEGYDHOSZWVIX-UHFFFAOYSA-N 0 0 337.331 2.641 1 10 EFCFRN Oc1cccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c1O ZINC000040403312 213298854 /nfs/dbraw/zinc/29/88/54/213298854.db2.gz VJXDPFWAUJYGFM-CYBMUJFWSA-N 0 0 341.371 2.549 1 10 EFCFRN Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2cc(Cl)ccc21 ZINC000036338801 213085552 /nfs/dbraw/zinc/08/55/52/213085552.db2.gz WKPBIDFACODBMC-MLPAPPSSSA-N 0 0 337.770 2.539 1 10 EFCFRN CCN(CC)CC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O ZINC000072106806 216009698 /nfs/dbraw/zinc/00/96/98/216009698.db2.gz MFKSJGDLVBJUHB-UHFFFAOYSA-N 0 0 342.420 2.804 1 10 EFCFRN CNC1=NC(=O)C(=Cc2c(C)nn(-c3ccc(F)cc3)c2C)S1 ZINC000073138068 216354992 /nfs/dbraw/zinc/35/49/92/216354992.db2.gz AMAUHZWVXPOHEZ-ZSOIEALJSA-N 0 0 330.388 2.818 1 10 EFCFRN COCCCn1[nH]c2c(ccc3c2C(=O)c2ccccc2C3=O)c1=O ZINC000101509881 219129745 /nfs/dbraw/zinc/12/97/45/219129745.db2.gz AFBOHANBLFMODT-UHFFFAOYSA-N 0 0 336.347 2.554 1 10 EFCFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000101519997 219130520 /nfs/dbraw/zinc/13/05/20/219130520.db2.gz GOYMUEVLRVMZTP-IDTYTIONSA-N 0 0 327.388 2.846 1 10 EFCFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102734008 219226285 /nfs/dbraw/zinc/22/62/85/219226285.db2.gz GOYMUEVLRVMZTP-VZHUHSAUSA-N 0 0 327.388 2.846 1 10 EFCFRN CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1cccnc1C2=O ZINC000040392589 213297048 /nfs/dbraw/zinc/29/70/48/213297048.db2.gz RPESDIWLFSAZET-UHFFFAOYSA-N 0 0 334.331 2.595 1 10 EFCFRN Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2c1cccc2Cl ZINC000028955031 212646195 /nfs/dbraw/zinc/64/61/95/212646195.db2.gz GALKTCBMIDPLTN-UITAMQMPSA-N 0 0 343.799 2.601 1 10 EFCFRN COC(=O)CCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O ZINC000013862819 211653882 /nfs/dbraw/zinc/65/38/82/211653882.db2.gz NKSFSHDRSDYECZ-UHFFFAOYSA-N 0 0 337.331 2.624 1 10 EFCFRN Cn1c2ccccc2c2c1C(=O)c1c3ccccc3[n+]([O-])cc1C2=O ZINC000084757559 217642573 /nfs/dbraw/zinc/64/25/73/217642573.db2.gz XSRRVGVAWCAYHP-UHFFFAOYSA-N 0 0 328.327 2.740 1 10 EFCFRN C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000028392727 202170247 /nfs/dbraw/zinc/17/02/47/202170247.db2.gz AGDCSEZEBUOTSS-UHFFFAOYSA-N 0 0 331.328 2.883 1 10 EFCFRN COc1ccc(N2C(=O)c3c(c(O)cc(OC)c3C)[C@H]2CCO)cc1 ZINC000028950955 202179730 /nfs/dbraw/zinc/17/97/30/202179730.db2.gz IKQTWXBPWHWYRF-CQSZACIVSA-N 0 0 343.379 2.802 1 10 EFCFRN COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3 ZINC000003794377 201055074 /nfs/dbraw/zinc/05/50/74/201055074.db2.gz CAEGIOZCLWNLAP-ZANVPECISA-N 0 0 338.359 2.792 1 10 in-vitro EFCFRN COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(O)c3CN1CC2 ZINC000013484850 201056842 /nfs/dbraw/zinc/05/68/42/201056842.db2.gz SUHDGQSJNMIRRN-OAHLLOKOSA-N 0 0 327.380 2.771 1 10 EFCFRN CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(O)cc1O ZINC000072119591 203164150 /nfs/dbraw/zinc/16/41/50/203164150.db2.gz YWKSWCPWMZECQV-AWEZNQCLSA-N 0 0 341.363 2.909 1 10 EFCFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000102734005 204047144 /nfs/dbraw/zinc/04/71/44/204047144.db2.gz GOYMUEVLRVMZTP-RIBQPWQFSA-N 0 0 327.388 2.846 1 10 EFCFRN COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 ZINC000169306255 206550155 /nfs/dbraw/zinc/55/01/55/206550155.db2.gz URQVNWRSGALGBH-XUJVJEKNSA-N 0 0 340.345 2.922 1 10 EFCFRN COC/C=C/c1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000095913576 560056628 /nfs/dbraw/zinc/05/66/28/560056628.db2.gz NISIPBVHOHIEJR-CJIROOEOSA-N 0 0 344.363 2.631 1 10 biogenic,in-vitro EFCFRN O=C1c2ccccc2C(=O)C1C1=NC(=O)N[C@@H](c2ccccc2O)C1 ZINC000103065517 219251447 /nfs/dbraw/zinc/25/14/47/219251447.db2.gz XDUIXEUPQVPBSO-CYBMUJFWSA-N 0 0 334.331 2.683 1 10 EFCFRN COc1ccc(C2=NN[C@]3(S2)c2ccccc2N(C)C3=O)cc1 ZINC000028824764 212638686 /nfs/dbraw/zinc/63/86/86/212638686.db2.gz JMJRYYLNMVMZCW-KRWDZBQOSA-N 0 0 325.393 2.523 1 10 EFCFRN CCN1C(=O)C(=Cc2cc3ccccc3[nH]2)C(=O)N(CC)C1=S ZINC000013487537 211565592 /nfs/dbraw/zinc/56/55/92/211565592.db2.gz YARKVGIJCANAFV-UHFFFAOYSA-N 0 0 327.409 2.547 1 10 EFCFRN Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc(N(C)C)cc1 ZINC000004083186 210114899 /nfs/dbraw/zinc/11/48/99/210114899.db2.gz VLXUNLGVUYYQJT-SFHVURJKSA-N 0 0 325.412 2.795 3 10 EFCFRN Oc1ccc(C/N=N/c2ccc3nnc(C(F)(F)F)n3n2)c(O)c1 ZINC000043080231 213557679 /nfs/dbraw/zinc/55/76/79/213557679.db2.gz RQYJBNDSCYXUIJ-ISLYRVAYSA-N 0 0 338.249 2.838 1 10 EFCFRN COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1O ZINC000040917126 213399812 /nfs/dbraw/zinc/39/98/12/213399812.db2.gz JGIZDMYNYXRHAN-UHFFFAOYSA-N 0 0 330.292 2.594 1 10 EFCFRN COc1cc(CC[C@@H](O)CC(=O)CCc2ccccc2)cc(O)c1O ZINC000070455140 290979918 /nfs/dbraw/zinc/97/99/18/290979918.db2.gz TUHQEHSIXLLTOG-QGZVFWFLSA-N 0 0 344.407 2.992 1 10 biogenic,in-vitro EFCFRN Cc1nnsc1C1=NNC(=O)/C1=C\c1c[nH]c2ccc(Cl)cc12 ZINC000028954951 212645939 /nfs/dbraw/zinc/64/59/39/212645939.db2.gz PUSFJFQVIPADDX-WCIBSUBMSA-N 0 0 343.799 2.899 1 10 EFCFRN O=C(c1ccccc1)N1CCN(Cc2ccc3cccnc3c2O)CC1 ZINC000053243050 214172326 /nfs/dbraw/zinc/17/23/26/214172326.db2.gz ACODOJQEXGOBAH-UHFFFAOYSA-N 0 0 347.418 2.898 1 10 EFCFRN COc1cc(-c2ncnn2-c2ccc(N)cc2)cc(OC)c1OC ZINC000049784258 214031765 /nfs/dbraw/zinc/03/17/65/214031765.db2.gz QIEWECAZXRLAQI-UHFFFAOYSA-N 0 0 326.356 2.542 1 10 EFCFRN CO[C@@]12C(=C(C3CC3)C1c1cnccn1)C(=O)c1ccccc1C2=O ZINC000103152128 219263325 /nfs/dbraw/zinc/26/33/25/219263325.db2.gz RHROTMDHVLGYOZ-FXAWDEMLSA-N 0 0 332.359 2.734 1 10 EFCFRN CO[C@]12C(=C(C3CC3)C1c1cnccn1)C(=O)c1ccccc1C2=O ZINC000103152126 219263441 /nfs/dbraw/zinc/26/34/41/219263441.db2.gz RHROTMDHVLGYOZ-PXNSSMCTSA-N 0 0 332.359 2.734 1 10 EFCFRN Nc1ccc(CCn2cnc3c2ncnc3Nc2cccc(N)c2)cc1 ZINC000040878458 213396228 /nfs/dbraw/zinc/39/62/28/213396228.db2.gz LUTHASWSRMIURQ-UHFFFAOYSA-N 0 0 345.410 2.977 1 10 EFCFRN Oc1cccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c1O ZINC000040403309 213299374 /nfs/dbraw/zinc/29/93/74/213299374.db2.gz VJXDPFWAUJYGFM-ZDUSSCGKSA-N 0 0 341.371 2.549 1 10 EFCFRN CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCO3)c(O)cc1O ZINC000072120054 216013909 /nfs/dbraw/zinc/01/39/09/216013909.db2.gz ULCHUCJOYLEPEM-ZDUSSCGKSA-N 0 0 327.336 2.867 1 10 EFCFRN Cc1cc2cc(C(=O)N3CCN(C)CC3)c(=O)oc2c2ccccc12 ZINC000073158827 216358575 /nfs/dbraw/zinc/35/85/75/216358575.db2.gz IJUKEVSUCVGXSI-UHFFFAOYSA-N 0 0 336.391 2.642 1 10 EFCFRN Oc1ccc(CNC(=S)NCCc2ccc(Cl)cc2)cc1O ZINC000013601128 1099122578 /nfs/dbraw/zinc/12/25/78/1099122578.db2.gz MCKQDCDQHIXRAK-UHFFFAOYSA-N 0 0 336.844 2.958 1 10 EFCFRN COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC ZINC000026384916 202142251 /nfs/dbraw/zinc/14/22/51/202142251.db2.gz FWOUQLGHGBDLRO-UHFFFAOYSA-N 0 0 330.292 2.594 1 10 EFCFRN COc1cccc(-c2ccc(C)n2CC[C@@H]2C[C@@H](O)CC(=O)O2)c1 ZINC000026835999 202149132 /nfs/dbraw/zinc/14/91/32/202149132.db2.gz ZUJYBBIDWOTFNW-NVXWUHKLSA-N 0 0 329.396 2.929 1 10 EFCFRN COc1ccc2c(c1O)CN1CCc3cc(O)c(OC)cc3[C@@H]1C2 ZINC000031516413 201068474 /nfs/dbraw/zinc/06/84/74/201068474.db2.gz XFXUXIQZJARYEF-HNNXBMFYSA-N 0 0 327.380 2.771 1 10 EFCFRN CCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000005836108 201361661 /nfs/dbraw/zinc/36/16/61/201361661.db2.gz JIOFFDNDXDHRBJ-ZWKOTPCHSA-N 0 0 332.352 2.980 1 10 EFCFRN COc1cc(-c2cc(=O)c3ccc([O-])c(O)c3o2)cc(OC)c1OC ZINC000014645304 201366797 /nfs/dbraw/zinc/36/67/97/201366797.db2.gz AZIVITUBVOBEEA-UHFFFAOYSA-N 0 0 344.319 2.897 1 10 EFCFRN CO[C@]12C(=C(C3CC3)C1c1cnccn1)C(=O)c1ccccc1C2=O ZINC000096934710 203901289 /nfs/dbraw/zinc/90/12/89/203901289.db2.gz RHROTMDHVLGYOZ-XLIONFOSSA-N 0 0 332.359 2.734 1 10 EFCFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101520003 219130174 /nfs/dbraw/zinc/13/01/74/219130174.db2.gz GOYMUEVLRVMZTP-DPEHCCBOSA-N 0 0 327.388 2.846 1 10 EFCFRN COc1ccc([C@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 ZINC000103066539 219251195 /nfs/dbraw/zinc/25/11/95/219251195.db2.gz KBNRKRBZDPXMCQ-OAHLLOKOSA-N 0 0 348.358 2.986 1 10 EFCFRN C[NH+](C)Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000040916104 213399847 /nfs/dbraw/zinc/39/98/47/213399847.db2.gz ICSYRRPMGFFPSY-UHFFFAOYSA-N 0 0 327.336 2.638 1 10 EFCFRN Oc1ccccc1CNc1ncnc2c1ncn2[C@@H]1CCCCO1 ZINC000040915806 213399435 /nfs/dbraw/zinc/39/94/35/213399435.db2.gz IXRFBXWSADAWMQ-AWEZNQCLSA-N 0 0 325.372 2.843 1 10 EFCFRN COc1c(O)c(O)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc12 ZINC000095099452 560062305 /nfs/dbraw/zinc/06/23/05/560062305.db2.gz CCWULBVFGQYUNN-UHFFFAOYSA-N 0 0 330.292 2.594 1 10 biogenic,in-vitro EFCFRN COc1cc2oc(=O)cc(-c3ccc(O)c(O)c3)c2c(OC)c1OC ZINC000049049363 213982260 /nfs/dbraw/zinc/98/22/60/213982260.db2.gz HRWIZMNANYFZLN-UHFFFAOYSA-N 0 0 344.319 2.897 1 10 EFCFRN Cc1ccc(-c2cnnc(N3CC[C@@H](c4ccc(O)c(O)c4)C3)n2)o1 ZINC000103224719 219272239 /nfs/dbraw/zinc/27/22/39/219272239.db2.gz KJSQMAGJTVYNTC-CYBMUJFWSA-N 0 0 338.367 2.845 1 10 EFCFRN COc1ccc2c(c1OC)C(=O)c1cc(O)c(C)c(OC)c1C2=O ZINC000095912262 290983034 /nfs/dbraw/zinc/98/30/34/290983034.db2.gz BJOFRGLKZTZIPP-UHFFFAOYSA-N 0 0 328.320 2.502 1 10 biogenic,in-vitro EFCFRN COC(=O)c1c2cc(OC)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000073240385 216367910 /nfs/dbraw/zinc/36/79/10/216367910.db2.gz UHTMAZRWXAPGRH-UHFFFAOYSA-N 0 0 335.315 2.510 1 10 EFCFRN O=C1CSC(=S)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000103265645 219279359 /nfs/dbraw/zinc/27/93/59/219279359.db2.gz KZSAHDKQUBQPKL-UHFFFAOYSA-N 0 0 325.802 2.750 1 10 EFCFRN Nc1ccc(Cn2cnc3c2ncnc3Nc2cccc(N)c2)cc1 ZINC000040878469 213395871 /nfs/dbraw/zinc/39/58/71/213395871.db2.gz QBOMJXVMPXJVIM-UHFFFAOYSA-N 0 0 331.383 2.783 1 10 EFCFRN O=C1c2ccncc2C(=O)c2nc3ccc(OC(F)(F)F)cc3nc21 ZINC000028642696 212628533 /nfs/dbraw/zinc/62/85/33/212628533.db2.gz SYWNWPCWFDCNHC-UHFFFAOYSA-N 0 0 345.236 2.699 1 10 EFCFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(N)ccc2N(C)[C@H]31 ZINC000095556271 218436484 /nfs/dbraw/zinc/43/64/84/218436484.db2.gz JBWWYXLPFLMSDT-IBGZPJMESA-N 0 0 348.406 2.906 1 10 EFCFRN COc1ccc2c(c1O)[C@H]1Cc3cc(OC)c(O)cc3[C@@H](C2)N1C ZINC000095913765 560056368 /nfs/dbraw/zinc/05/63/68/560056368.db2.gz PLGXEPHZCXBYLP-ZIAGYGMSSA-N 0 0 327.380 2.941 1 10 biogenic,in-vitro EFCFRN