smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)[C@@H](Cc2ccc(OCCO/N=C/c3ccc(-c4ccccc4)cc3)cc2)S1 ZINC000027209147 563040915 /nfs/dbraw/zinc/04/09/15/563040915.db2.gz WGTMOCJBCXEHTM-NWJFTTBMSA-N -1 1 446.528 4.677 1 30 IJEFMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCc1nnc(-c2ccccc2)o1 ZINC000066252003 563160034 /nfs/dbraw/zinc/16/00/34/563160034.db2.gz TWFQRLIPFCVDFO-NTUHNPAUSA-N -1 1 428.444 4.926 1 30 IJEFMM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C(=O)C=Cc3ccc(F)cc3)cc2)cc1 ZINC000028712218 563062857 /nfs/dbraw/zinc/06/28/57/563062857.db2.gz PPVVWQOLUFYRCA-GIDUJCDVSA-N -1 1 438.480 4.745 1 30 IJEFMM Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(C(=O)C=Cc3ccc(F)cc3)cc2)cc1 ZINC000028712218 563062858 /nfs/dbraw/zinc/06/28/58/563062858.db2.gz PPVVWQOLUFYRCA-GIDUJCDVSA-N -1 1 438.480 4.745 1 30 IJEFMM COc1ccc2c(c1)c(Sc1ccccc1)c(C(=O)Nc1nn[n-]n1)n2-c1ccccc1 ZINC000028766034 563064158 /nfs/dbraw/zinc/06/41/58/563064158.db2.gz HNKSRMIFSKKVAV-UHFFFAOYSA-N -1 1 442.504 4.940 1 30 IJEFMM O=C1c2nc(-c3ccccc3)[n-]c2C(=O)C(Cl)=C1Nc1ccc(OC(F)(F)F)cc1 ZINC000029048892 563072819 /nfs/dbraw/zinc/07/28/19/563072819.db2.gz DUHRATUUGLQXAF-UHFFFAOYSA-N -1 1 433.773 4.917 1 30 IJEFMM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C(=O)C=Cc2cccc(F)c2)cc1 ZINC000073223617 563170905 /nfs/dbraw/zinc/17/09/05/563170905.db2.gz NLKWFVHGMYXEKR-SDNWHVSQSA-N -1 1 438.480 4.745 1 30 IJEFMM Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccccc2C(=O)C=Cc2cccc(F)c2)cc1 ZINC000073223617 563170907 /nfs/dbraw/zinc/17/09/07/563170907.db2.gz NLKWFVHGMYXEKR-SDNWHVSQSA-N -1 1 438.480 4.745 1 30 IJEFMM C=C(CC/C=C(\C)C(=O)OCC(C)(C)CC1=C([O-])C(=O)c2ccccc2C1=O)[C@H](C)O ZINC000014454978 291386990 /nfs/dbraw/zinc/38/69/90/291386990.db2.gz YBGLCEKFZBMXSA-KGZWWPETSA-N -1 1 426.509 4.501 1 30 biogenic,in-vitro IJEFMM Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccc(C#N)cc2)[n-]c1=O ZINC000028862917 563066915 /nfs/dbraw/zinc/06/69/15/563066915.db2.gz AUMHWBPDWJZTPV-UHFFFAOYSA-N -1 1 444.343 4.823 1 30 IJEFMM COc1cc(/C=C/C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)ccc1O ZINC000040392753 563100038 /nfs/dbraw/zinc/10/00/38/563100038.db2.gz HXZZOJOGBWUNRW-VZUCSPMQSA-N -1 1 443.908 4.751 1 30 IJEFMM N#Cc1ccc(Oc2ccccc2C(=O)[O-])c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000053294018 563141738 /nfs/dbraw/zinc/14/17/38/563141738.db2.gz LBRSBMPJWFLCEE-UHFFFAOYSA-N -1 1 428.853 4.503 1 30 IJEFMM C=C[C@](C)(O)CC/C=C(\C)C(=O)OCC(C)(C)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000014454975 291386972 /nfs/dbraw/zinc/38/69/72/291386972.db2.gz PGBVSJKVNNPZJQ-CTSIERMWSA-N -1 1 426.509 4.501 1 30 biogenic,in-vitro IJEFMM COc1cc(C(=O)OCCCC2=C([O-])C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000028458719 563054906 /nfs/dbraw/zinc/05/49/06/563054906.db2.gz URLDEYSLCLRPDW-UHFFFAOYSA-N -1 1 446.455 4.685 1 30 IJEFMM CCCCCCCCCCCCCCO[P@](=O)([O-])N[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000043356633 563120101 /nfs/dbraw/zinc/12/01/01/563120101.db2.gz WBTFSOLEPKXJAO-HXUWFJFHSA-O -1 1 437.582 4.944 1 30 IJEFMM COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)S/C2=N\C(C)C)c(OC)c1 ZINC000049069016 563137622 /nfs/dbraw/zinc/13/76/22/563137622.db2.gz XXYUPOPISQEQJN-RZLLDZTLSA-N -1 1 432.929 4.948 1 30 IJEFMM COc1c(C(=O)NCC(C)(C)CC2=C([O-])C(=O)c3ccccc3C2=O)ccc2ccccc21 ZINC000082151659 563173253 /nfs/dbraw/zinc/17/32/53/563173253.db2.gz CKLXVWCACRBDTL-UHFFFAOYSA-N -1 1 443.499 4.886 1 30 IJEFMM CC(C)(COC(=O)c1cc(O)c2ccccc2c1O)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000028387849 563054236 /nfs/dbraw/zinc/05/42/36/563054236.db2.gz VYCYIUYMXBRJDW-UHFFFAOYSA-N -1 1 446.455 4.715 1 30 IJEFMM CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1[C@H](O)C[P@](=O)([O-])O ZINC000043640910 563121032 /nfs/dbraw/zinc/12/10/32/563121032.db2.gz VDNUOTUEHHFXCO-LEWJYISDSA-N -1 1 433.570 4.997 1 30 IJEFMM O=c1oc2ccccc2c2c(=O)c3ccc(OC/C(=N/[O-])c4ccc(Cl)cc4)cc3oc12 ZINC000006041796 562946063 /nfs/dbraw/zinc/94/60/63/562946063.db2.gz JZRBAKFQJKBJKQ-ITYLOYPMSA-N -1 1 447.830 4.963 1 30 IJEFMM CC(C)CO/N=C1\CN=C(C(C)C)N1c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028967344 563071114 /nfs/dbraw/zinc/07/11/14/563071114.db2.gz ZSECAVUETXTYTJ-JFLMPSFJSA-N -1 1 439.400 4.859 1 30 IJEFMM CCCCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nn[n-]n2)CO3)cc1 ZINC000038142621 563096167 /nfs/dbraw/zinc/09/61/67/563096167.db2.gz ROCGKKMRGZDQHU-NRFANRHFSA-N -1 1 435.528 4.868 1 30 IJEFMM CCCCCCCCCCN1CC(=C2SC(=O)[N-]C2=O)c2ccccc2S1(=O)=O ZINC000003630106 562937013 /nfs/dbraw/zinc/93/70/13/562937013.db2.gz LXCGPRBPGJSBMO-ZPHPHTNESA-N -1 1 436.599 4.526 1 30 IJEFMM CCc1ccc(-c2cc(C#C[C@H](C)N([O-])C(=O)C(C)C)nn2-c2ccc(OC)cc2)cc1 ZINC000028086454 563050199 /nfs/dbraw/zinc/05/01/99/563050199.db2.gz FUXVQILQPYRMIO-IBGZPJMESA-N -1 1 431.536 4.724 1 30 IJEFMM COc1ccc(-n2nc(C#C[C@@H](C)N([O-])C(=O)c3ccco3)cc2-c2ccc(C)cc2)cc1 ZINC000028101564 563050622 /nfs/dbraw/zinc/05/06/22/563050622.db2.gz BRNKPUSCUPBXLG-LJQANCHMSA-N -1 1 441.487 4.721 1 30 IJEFMM CC/C(=N/[O-])c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 ZINC000084672529 563175573 /nfs/dbraw/zinc/17/55/73/563175573.db2.gz QOBVYIXLGUUPOY-PKAZHMFMSA-N -1 1 436.541 4.932 1 30 IJEFMM CCCCCCCCCCCCCCCC(=O)N1CCC[C@@H]1[C@H](O)C[P@](=O)([O-])O ZINC000043640909 563121018 /nfs/dbraw/zinc/12/10/18/563121018.db2.gz VDNUOTUEHHFXCO-NHCUHLMSSA-N -1 1 433.570 4.997 1 30 IJEFMM C/C(=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc2ccc([O-])cc2oc1=O ZINC000072114427 563163653 /nfs/dbraw/zinc/16/36/53/563163653.db2.gz PLAFSMCUFLUJAX-ROTLSHHCSA-N -1 1 445.456 4.565 1 30 IJEFMM CC(C)Oc1c2cc(Cl)c(Cl)cc2n(-c2ccccc2)c1C(=O)Nc1nn[n-]n1 ZINC000028769116 563064288 /nfs/dbraw/zinc/06/42/88/563064288.db2.gz XWLUYKVULONOCC-UHFFFAOYSA-N -1 1 431.283 4.874 1 30 IJEFMM N#Cc1c(NC(=O)c2cccs2)nc(-c2ccccc2[O-])cc1-c1cccc(CO)c1 ZINC000049803391 563140144 /nfs/dbraw/zinc/14/01/44/563140144.db2.gz XMZCGKIJGJHOFR-UHFFFAOYSA-N -1 1 427.485 4.799 1 30 IJEFMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCc1nnc(-c2ccccc2O)o1 ZINC000066252425 563160154 /nfs/dbraw/zinc/16/01/54/563160154.db2.gz OYSCMDWEAIAVHU-WUXMJOGZSA-N -1 1 444.443 4.632 1 30 IJEFMM C=C(CC/C=C(\C)C(=O)OCC(C)(C)CC1=C([O-])C(=O)c2ccccc2C1=O)[C@@H](C)O ZINC000014454977 291386601 /nfs/dbraw/zinc/38/66/01/291386601.db2.gz YBGLCEKFZBMXSA-BRVCPTFNSA-N -1 1 426.509 4.501 1 30 biogenic,in-vitro IJEFMM NC(=O)CCCC[C@]1(c2ccccc2)CC([O-])=C(SCCc2ccccc2)C(=O)O1 ZINC000006579542 562948145 /nfs/dbraw/zinc/94/81/45/562948145.db2.gz PIWYTNVDRKDXMT-XMMPIXPASA-N -1 1 425.550 4.620 1 30 IJEFMM O=C1[N-]C(=O)[C@H](Cc2ccc(OCCO/N=C/c3ccc(-c4ccccc4)cc3)cc2)S1 ZINC000027209151 563040866 /nfs/dbraw/zinc/04/08/66/563040866.db2.gz WGTMOCJBCXEHTM-OINMWHHXSA-N -1 1 446.528 4.677 1 30 IJEFMM C/C(=C\CC[C@@]1(C)O[C@H]1C)C(=O)OCC(C)(C)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000014454973 291386206 /nfs/dbraw/zinc/38/62/06/291386206.db2.gz SPZXMDFSIVOCCT-NHBAIXJCSA-N -1 1 426.509 4.741 1 30 biogenic,in-vitro IJEFMM Cc1c(=O)[n-]c(SCC(=O)c2ccccc2)nc1[C@H](C#N)c1cccc2ccccc21 ZINC000040767283 563106718 /nfs/dbraw/zinc/10/67/18/563106718.db2.gz CSEQGKDAFGEBHP-OAQYLSRUSA-N -1 1 425.513 4.862 1 30 IJEFMM C=C[C@@](C)(O)CC/C=C(\C)C(=O)OCC(C)(C)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000014454976 291386996 /nfs/dbraw/zinc/38/69/96/291386996.db2.gz PGBVSJKVNNPZJQ-JUVVUYAKSA-N -1 1 426.509 4.501 1 30 biogenic,in-vitro IJEFMM CC(C)CO/N=C1/CN=C(C(C)C)N1c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028567963 563058372 /nfs/dbraw/zinc/05/83/72/563058372.db2.gz ZSECAVUETXTYTJ-DICXZTSXSA-N -1 1 439.400 4.859 1 30 IJEFMM O=C1C(c2ccccc2)=C([O-])C2=Nc3cc4c(cc3[C@@H](c3cccc(Cl)c3)C12)OCO4 ZINC000040899899 563110920 /nfs/dbraw/zinc/11/09/20/563110920.db2.gz GTZQYMLZXVEOOP-NHCUHLMSSA-N -1 1 429.859 4.816 1 30 IJEFMM O=C1C2=Nc3cc4c(cc3[C@@H](c3cccc(Cl)c3)C2C([O-])=C1c1ccccc1)OCO4 ZINC000040899899 563110921 /nfs/dbraw/zinc/11/09/21/563110921.db2.gz GTZQYMLZXVEOOP-NHCUHLMSSA-N -1 1 429.859 4.816 1 30 IJEFMM N#Cc1ccc(OCCCCCCn2cc(C=C3NC(=S)[N-]C3=O)c3ccccc32)cc1 ZINC000043074784 563118229 /nfs/dbraw/zinc/11/82/29/563118229.db2.gz ODWKTYUHLOJJAN-JCMHNJIXSA-N -1 1 444.560 4.909 1 30 IJEFMM CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3)ccc21 ZINC000034801603 563087409 /nfs/dbraw/zinc/08/74/09/563087409.db2.gz NCXAJNHFWXKRON-UHFFFAOYSA-N -1 1 429.586 4.920 1 30 IJEFMM N#Cc1ccc(OCCCCCn2cc(C=C3NC(=S)[N-]C3=O)c3ccccc32)cc1 ZINC000043079731 563118480 /nfs/dbraw/zinc/11/84/80/563118480.db2.gz FGIKASKTKROYNK-STZFKDTASA-N -1 1 430.533 4.519 1 30 IJEFMM C=CCn1c(=S)[n-]nc1Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000045283780 563127993 /nfs/dbraw/zinc/12/79/93/563127993.db2.gz KUKJMEJBEHVXAK-UHFFFAOYSA-N -1 1 432.372 4.856 1 30 IJEFMM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C(=O)C=Cc2ccc(F)cc2)cc1 ZINC000073240095 563171249 /nfs/dbraw/zinc/17/12/49/563171249.db2.gz XPVOUFJIWANKAJ-XNTDXEJSSA-N -1 1 438.480 4.745 1 30 IJEFMM Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccccc2C(=O)C=Cc2ccc(F)cc2)cc1 ZINC000073240095 563171251 /nfs/dbraw/zinc/17/12/51/563171251.db2.gz XPVOUFJIWANKAJ-XNTDXEJSSA-N -1 1 438.480 4.745 1 30 IJEFMM Cc1ccc(C=CC(=O)c2ccccc2NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000073224879 563171048 /nfs/dbraw/zinc/17/10/48/563171048.db2.gz LDWVEKRSLDSEHD-DTQAZKPQSA-N -1 1 434.517 4.914 1 30 IJEFMM Cc1ccc(C=CC(=O)c2ccccc2NC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000073224879 563171049 /nfs/dbraw/zinc/17/10/49/563171049.db2.gz LDWVEKRSLDSEHD-DTQAZKPQSA-N -1 1 434.517 4.914 1 30 IJEFMM CCCCCCCc1ccc(C=CC(=O)Nc2cccc3c2O[C@@H](c2nn[n-]n2)CO3)cc1 ZINC000038142596 563096097 /nfs/dbraw/zinc/09/60/97/563096097.db2.gz QAFXJLKSSNVBDG-SFZDQAMXSA-N -1 1 447.539 4.877 1 30 IJEFMM C=C(C)[C@H]1Cc2c([O-])c3c(=O)cc4c(c-3oc2-c2c(O)cc(O)c(O)c21)C=CC(C)(C)O4 ZINC000013373147 291386610 /nfs/dbraw/zinc/38/66/10/291386610.db2.gz ZIYAGIMFLYOZDS-GFCCVEGCSA-N -1 1 434.444 4.682 1 30 endogenous,in-man IJEFMM C=C(C)[C@H]1Cc2c(oc3c4c(cc([O-])c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(O)c(O)c21 ZINC000013373147 291386611 /nfs/dbraw/zinc/38/66/11/291386611.db2.gz ZIYAGIMFLYOZDS-GFCCVEGCSA-N -1 1 434.444 4.682 1 30 endogenous,in-man IJEFMM O=C([N-]S(=O)(=O)c1cc2cccc(Br)c2o1)Nc1ccc(Cl)cc1 ZINC000028086761 563050203 /nfs/dbraw/zinc/05/02/03/563050203.db2.gz ZMCOUFTZJZOBMU-UHFFFAOYSA-N -1 1 429.679 4.564 1 30 IJEFMM O=S(=O)(N=C([O-])Nc1ccc(Cl)cc1)c1cc2cccc(Br)c2o1 ZINC000028086761 563050204 /nfs/dbraw/zinc/05/02/04/563050204.db2.gz ZMCOUFTZJZOBMU-UHFFFAOYSA-N -1 1 429.679 4.564 1 30 IJEFMM COc1cc(C(=O)OC[C@@H](C)CC2=C([O-])C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000028386671 563054259 /nfs/dbraw/zinc/05/42/59/563054259.db2.gz GBGSRKSUJQDTJH-AWEZNQCLSA-N -1 1 446.455 4.628 1 30 IJEFMM COc1cc([O-])c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2c1C=CC(C)(C)O2 ZINC000013398297 560216345 /nfs/dbraw/zinc/21/63/45/560216345.db2.gz NPYZCJPNWUTNDN-BQYQJAHWSA-N -1 1 426.465 4.507 1 30 biogenic,in-vitro IJEFMM NC(=O)CCCC[C@@]1(c2ccccc2)CC([O-])=C(SCCc2ccccc2)C(=O)O1 ZINC000006579551 562948142 /nfs/dbraw/zinc/94/81/42/562948142.db2.gz PIWYTNVDRKDXMT-DEOSSOPVSA-N -1 1 425.550 4.620 1 30 IJEFMM CCCCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nn[n-]n2)CO3)cc1 ZINC000038142622 563096190 /nfs/dbraw/zinc/09/61/90/563096190.db2.gz ROCGKKMRGZDQHU-OAQYLSRUSA-N -1 1 435.528 4.868 1 30 IJEFMM Cc1c(=O)[n-]c(SCC(=O)c2ccccc2)nc1[C@@H](C#N)c1cccc2ccccc21 ZINC000040767280 563106741 /nfs/dbraw/zinc/10/67/41/563106741.db2.gz CSEQGKDAFGEBHP-NRFANRHFSA-N -1 1 425.513 4.862 1 30 IJEFMM O=C1C(c2ccccc2)=C([O-])C2=Nc3cc4c(cc3[C@@H](c3cccc(Cl)c3)C12)OCO4 ZINC000040899901 563110924 /nfs/dbraw/zinc/11/09/24/563110924.db2.gz GTZQYMLZXVEOOP-RTWAWAEBSA-N -1 1 429.859 4.816 1 30 IJEFMM O=C1C2=Nc3cc4c(cc3[C@@H](c3cccc(Cl)c3)C2C([O-])=C1c1ccccc1)OCO4 ZINC000040899901 563110925 /nfs/dbraw/zinc/11/09/25/563110925.db2.gz GTZQYMLZXVEOOP-RTWAWAEBSA-N -1 1 429.859 4.816 1 30 IJEFMM CC(C)(CNC(=O)c1ccc2ccccc2c1O)CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000082149227 563172962 /nfs/dbraw/zinc/17/29/62/563172962.db2.gz NDCJHHRTICGYAL-UHFFFAOYSA-N -1 1 429.472 4.583 1 30 IJEFMM CCc1ccc(-c2cc(C#C[C@@H](C)N([O-])C(=O)C(C)C)nn2-c2ccc(OC)cc2)cc1 ZINC000028086449 563050257 /nfs/dbraw/zinc/05/02/57/563050257.db2.gz FUXVQILQPYRMIO-LJQANCHMSA-N -1 1 431.536 4.724 1 30 IJEFMM COc1ccc(OCCOc2ccc(CC3=C([O-])C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000040938241 563113162 /nfs/dbraw/zinc/11/31/62/563113162.db2.gz RQDFXWBBMXVGHA-UHFFFAOYSA-N -1 1 430.456 4.587 1 30 IJEFMM CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1[C@@H](O)C[P@](=O)([O-])O ZINC000043640912 563121000 /nfs/dbraw/zinc/12/10/00/563121000.db2.gz VDNUOTUEHHFXCO-SFTDATJTSA-N -1 1 433.570 4.997 1 30 IJEFMM CCCCCCCCCCCCCCCC(=O)N1CCC[C@@H]1[C@@H](O)C[P@](=O)([O-])O ZINC000043640911 563121005 /nfs/dbraw/zinc/12/10/05/563121005.db2.gz VDNUOTUEHHFXCO-RTWAWAEBSA-N -1 1 433.570 4.997 1 30 IJEFMM COc1cc(C=C2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(Br)c1[O-] ZINC000026494287 563032552 /nfs/dbraw/zinc/03/25/52/563032552.db2.gz GEDRAKFVYOVJDJ-UHFFFAOYSA-N -1 1 428.065 4.933 1 30 IJEFMM COc1ccc(-n2nc(C#C[C@H](C)N([O-])C(=O)c3ccco3)cc2-c2ccc(C)cc2)cc1 ZINC000028101569 563050612 /nfs/dbraw/zinc/05/06/12/563050612.db2.gz BRNKPUSCUPBXLG-IBGZPJMESA-N -1 1 441.487 4.721 1 30 IJEFMM COc1c(C(=O)OC[C@H](C)CC2=C([O-])C(=O)c3ccccc3C2=O)ccc2ccccc21 ZINC000028459977 563054993 /nfs/dbraw/zinc/05/49/93/563054993.db2.gz OTKJZYWARYVFPT-OAHLLOKOSA-N -1 1 430.456 4.923 1 30 IJEFMM O=C1c2nc(-c3ccccn3)[n-]c2C(=O)C(Cl)=C1Sc1ccc(Br)cc1 ZINC000029047591 563072762 /nfs/dbraw/zinc/07/27/62/563072762.db2.gz QWYBLRFSUYZYKC-UHFFFAOYSA-N -1 1 446.713 4.856 1 30 IJEFMM CCCCCCCc1ccc(C=CC(=O)Nc2cccc3c2O[C@H](c2nn[n-]n2)CO3)cc1 ZINC000038142594 563096069 /nfs/dbraw/zinc/09/60/69/563096069.db2.gz QAFXJLKSSNVBDG-BQXQKYNTSA-N -1 1 447.539 4.877 1 30 IJEFMM