smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N=Nc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000100559674 219102258 /nfs/dbraw/zinc/10/22/58/219102258.db2.gz BOTKBBKUJWAASR-FMQUCBEESA-N -1 0 342.786 4.964 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000101119267 219117116 /nfs/dbraw/zinc/11/71/16/219117116.db2.gz HYMCVDDWZHBQOW-FHSNZYRGSA-N -1 0 325.795 4.865 50 10 EJCARM COc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000004140537 210130984 /nfs/dbraw/zinc/13/09/84/210130984.db2.gz RIIOHIUWEGYOJT-GJYPPUQNSA-N -1 0 335.403 4.528 50 10 EJCARM Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000004089661 210118044 /nfs/dbraw/zinc/11/80/44/210118044.db2.gz GGWFBFBOFXATQV-NRFANRHFSA-N -1 0 349.430 4.748 50 10 EJCARM O=C([O-])CCc1ccc(-c2ccccc2)n1-c1cc(Cl)ccc1O ZINC000000470635 209622435 /nfs/dbraw/zinc/62/24/35/209622435.db2.gz XWVFJQSUIVTFRV-UHFFFAOYSA-N -1 0 341.794 4.521 50 10 EJCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000226933922 201038848 /nfs/dbraw/zinc/03/88/48/201038848.db2.gz VNUSINHARRHBKC-PBFPGSCMSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1ccc(C)c(-n2c(CCC(=O)[O-])ccc2-c2cccs2)c1 ZINC000000094877 201433327 /nfs/dbraw/zinc/43/33/27/201433327.db2.gz KEVGUSBLEMXWIR-UHFFFAOYSA-N -1 0 325.433 4.840 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000216013864 241159874 /nfs/dbraw/zinc/15/98/74/241159874.db2.gz JGVZQZYRGOFCJB-IIDMSEBBSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004237756 563498376 /nfs/dbraw/zinc/49/83/76/563498376.db2.gz YWWGHMWJSACFCU-HDMKZQKVSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000100041076 563981331 /nfs/dbraw/zinc/98/13/31/563981331.db2.gz JANWWUWABUSGKW-UVTDQMKNSA-N -1 0 346.217 4.712 50 10 EJCARM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000101148489 564019238 /nfs/dbraw/zinc/01/92/38/564019238.db2.gz NUVJZGKOEQOGGA-MHWRWJLKSA-N -1 0 346.217 4.712 50 10 EJCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000108505931 564028334 /nfs/dbraw/zinc/02/83/34/564028334.db2.gz VNUSINHARRHBKC-XNJGSVPQSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000013125070 564136025 /nfs/dbraw/zinc/13/60/25/564136025.db2.gz ZRCODUVJYPCUIW-XJUMHSELSA-N -1 0 328.375 4.715 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000100498713 219100669 /nfs/dbraw/zinc/10/06/69/219100669.db2.gz ZRCODUVJYPCUIW-XKXPVHLMSA-N -1 0 328.375 4.715 50 10 EJCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1cc(Cl)ccc1O ZINC000000470108 209621202 /nfs/dbraw/zinc/62/12/02/209621202.db2.gz IGZHVODKMHSJRY-UHFFFAOYSA-N -1 0 347.823 4.582 50 10 EJCARM Cc1ccc(C)c(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c1 ZINC000000094811 209415965 /nfs/dbraw/zinc/41/59/65/209415965.db2.gz PXCVICRJSFRGBT-UHFFFAOYSA-N -1 0 337.394 4.917 50 10 EJCARM COC(=O)c1sc(SCc2ccccc2)c(C(F)(F)F)c1[O-] ZINC000000521750 201483135 /nfs/dbraw/zinc/48/31/35/201483135.db2.gz LMZHMVOEMFTLIM-UHFFFAOYSA-N -1 0 348.367 4.551 50 10 EJCARM O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC000000094892 563223579 /nfs/dbraw/zinc/22/35/79/563223579.db2.gz RGNAXOOBVCUXPQ-UHFFFAOYSA-N -1 0 331.824 4.876 50 10 EJCARM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1F ZINC000000314152 563282025 /nfs/dbraw/zinc/28/20/25/563282025.db2.gz LMNIHLMWNDOKNH-UHFFFAOYSA-N -1 0 341.363 4.505 50 10 EJCARM CC(C)n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000000470074 563330764 /nfs/dbraw/zinc/33/07/64/563330764.db2.gz SRVPIJUGKZVAHD-UHFFFAOYSA-N -1 0 336.229 4.516 50 10 EJCARM CCOc1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000000205062 563988501 /nfs/dbraw/zinc/98/85/01/563988501.db2.gz PXNUJYGULGEIPK-UHFFFAOYSA-N -1 0 341.432 4.622 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000102148320 219187851 /nfs/dbraw/zinc/18/78/51/219187851.db2.gz FKWMBTLYMSRLML-SKAIHHOBSA-N -1 0 346.312 4.580 50 10 EJCARM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000015938710 211869957 /nfs/dbraw/zinc/86/99/57/211869957.db2.gz DEPBWVRTJQCADN-JKIFEVAISA-N -1 0 325.795 4.865 50 10 EJCARM COc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)c(C(=O)[O-])c1 ZINC000000099601 563225626 /nfs/dbraw/zinc/22/56/26/563225626.db2.gz FYBDCWMCUHIQSM-UHFFFAOYSA-N -1 0 345.704 4.809 50 10 in-vitro EJCARM O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000000094921 563976635 /nfs/dbraw/zinc/97/66/35/563976635.db2.gz KRNNKGGBFBHNPP-UHFFFAOYSA-N -1 0 325.795 4.815 50 10 EJCARM Cc1cc(C)cc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c1 ZINC000000094821 563976641 /nfs/dbraw/zinc/97/66/41/563976641.db2.gz MQCKKVCBPAGRIR-UHFFFAOYSA-N -1 0 337.394 4.917 50 10 EJCARM Cc1ccc(NCc2c([O-])ccc3c4ccccc4c(=O)oc32)cc1F ZINC000006662791 564095652 /nfs/dbraw/zinc/09/56/52/564095652.db2.gz KVDCPUREYDQKCL-UHFFFAOYSA-N -1 0 349.361 4.711 50 10 EJCARM CCOc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004140531 210131366 /nfs/dbraw/zinc/13/13/66/210131366.db2.gz QWJMABCFVYELBB-FRQCXROJSA-N -1 0 335.403 4.610 50 10 EJCARM Nc1c(C(=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000000048929 209388988 /nfs/dbraw/zinc/38/89/88/209388988.db2.gz ISVCAHMLQMOYKV-UHFFFAOYSA-N -1 0 346.411 4.911 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000229983076 242222239 /nfs/dbraw/zinc/22/22/39/242222239.db2.gz BJFQJSHIKCEXET-RKVPGOIHSA-N -1 0 325.795 4.865 50 10 biogenic EJCARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006251966 210606437 /nfs/dbraw/zinc/60/64/37/210606437.db2.gz KIMWWSKAIJIRMR-JOTDFLBESA-N -1 0 349.390 4.708 50 10 EJCARM O=C([O-])C1=Cc2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005003708 210358473 /nfs/dbraw/zinc/35/84/73/210358473.db2.gz UQQZCYFJJGHXPK-VHEBQXMUSA-N -1 0 337.291 4.567 50 10 EJCARM CSc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000000032654 563211793 /nfs/dbraw/zinc/21/17/93/563211793.db2.gz KTZDSRRQWHXUBX-UHFFFAOYSA-N -1 0 337.444 4.883 50 10 EJCARM Cc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-] ZINC000000313956 563282030 /nfs/dbraw/zinc/28/20/30/563282030.db2.gz RWIXDIIEPOGCPK-UHFFFAOYSA-N -1 0 337.400 4.674 50 10 EJCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(N(C)C)cc2)cc1 ZINC000000470606 563330788 /nfs/dbraw/zinc/33/07/88/563330788.db2.gz XFOWFDMQYBEFPK-UHFFFAOYSA-N -1 0 348.446 4.536 50 10 EJCARM C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)[O-])cc2)C1 ZINC000006751209 563585305 /nfs/dbraw/zinc/58/53/05/563585305.db2.gz QXPQWTQAPVPYEN-OAHLLOKOSA-N -1 0 331.415 4.967 50 10 EJCARM Cc1[n-]n2c(nc(C)c(N=Nc3ccccc3)c2=O)c1-c1ccccc1 ZINC000030874542 563911597 /nfs/dbraw/zinc/91/15/97/563911597.db2.gz KIDOOZPTBPZGJF-GHVJWSGMSA-N -1 0 343.390 4.722 50 10 EJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000101141679 564019243 /nfs/dbraw/zinc/01/92/43/564019243.db2.gz PGNJJKHFGCGZNE-GXDHUFHOSA-N -1 0 346.217 4.712 50 10 EJCARM COc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)c1 ZINC000013425509 564074274 /nfs/dbraw/zinc/07/42/74/564074274.db2.gz QQIBRIWAXMDLCH-HLIPFELVSA-N -1 0 335.403 4.528 50 10 EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000245238290 564088637 /nfs/dbraw/zinc/08/86/37/564088637.db2.gz IVWNHJKZDBXOMY-HSMVNMDESA-N -1 0 342.782 4.780 50 10 EJCARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000252594042 564121083 /nfs/dbraw/zinc/12/10/83/564121083.db2.gz BOTKBBKUJWAASR-UHFFFAOYSA-N -1 0 342.786 4.964 50 10 EJCARM CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1 ZINC000000319234 209536328 /nfs/dbraw/zinc/53/63/28/209536328.db2.gz JMBFGHGEOAMRTE-UHFFFAOYSA-N -1 0 349.430 4.869 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000216013906 241160993 /nfs/dbraw/zinc/16/09/93/241160993.db2.gz JGVZQZYRGOFCJB-RKVPGOIHSA-N -1 0 325.795 4.865 50 10 EJCARM O=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1[O-] ZINC000000480529 201479416 /nfs/dbraw/zinc/47/94/16/201479416.db2.gz QYMUBXIHFGGQDX-UHFFFAOYSA-N -1 0 337.322 4.878 50 10 EJCARM COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000005812204 201664366 /nfs/dbraw/zinc/66/43/66/201664366.db2.gz RIIOHIUWEGYOJT-GPMSIDNRSA-N -1 0 335.403 4.528 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000102148314 204033710 /nfs/dbraw/zinc/03/37/10/204033710.db2.gz FKWMBTLYMSRLML-UCMDFWOYSA-N -1 0 346.312 4.580 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Cl)cccc1Cl ZINC000012436425 211379560 /nfs/dbraw/zinc/37/95/60/211379560.db2.gz MLKMRHIZMPOVTM-RAXLEYEMSA-N -1 0 346.217 4.712 50 10 EJCARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006251967 563981310 /nfs/dbraw/zinc/98/13/10/563981310.db2.gz KIMWWSKAIJIRMR-KYIBQMDOSA-N -1 0 349.390 4.708 50 10 EJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000105833236 219552306 /nfs/dbraw/zinc/55/23/06/219552306.db2.gz YWWGHMWJSACFCU-VKJFTORMSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000015134090 563778745 /nfs/dbraw/zinc/77/87/45/563778745.db2.gz JANWWUWABUSGKW-GXDHUFHOSA-N -1 0 346.217 4.712 50 10 EJCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c(C)c1 ZINC000000094807 563976665 /nfs/dbraw/zinc/97/66/65/563976665.db2.gz WLRMBIVBZLNLDR-UHFFFAOYSA-N -1 0 337.394 4.917 50 10 EJCARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006337783 564085241 /nfs/dbraw/zinc/08/52/41/564085241.db2.gz KIMWWSKAIJIRMR-YDXVVIRGSA-N -1 0 349.390 4.708 50 10 EJCARM COc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)c1 ZINC000004123724 210125975 /nfs/dbraw/zinc/12/59/75/210125975.db2.gz QQIBRIWAXMDLCH-QKLQHJQFSA-N -1 0 335.403 4.528 50 10 EJCARM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004045823 210106938 /nfs/dbraw/zinc/10/69/38/210106938.db2.gz DEPBWVRTJQCADN-GRDNDAEWSA-N -1 0 325.795 4.865 50 10 EJCARM O=c1c2ccc([O-])c(C[NH+]3CCCCCC3)c2occ1-c1ccccc1 ZINC000019596394 201369397 /nfs/dbraw/zinc/36/93/97/201369397.db2.gz OUZLXGYFLIOSOY-UHFFFAOYSA-N -1 0 349.430 4.542 50 10 biogenic EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000217461464 241250952 /nfs/dbraw/zinc/25/09/52/241250952.db2.gz WCMULIPDJGIOHP-LSSIXWDNSA-N -1 0 346.814 4.764 50 10 EJCARM O=C([O-])c1ccn2c(cc(-c3ccccc3)c2C(=O)c2ccccc2)c1 ZINC000001308612 201502309 /nfs/dbraw/zinc/50/23/09/201502309.db2.gz MDUKTVJKQXUSHA-UHFFFAOYSA-N -1 0 341.366 4.536 50 10 EJCARM COc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c2ccccc12 ZINC000257347676 536714168 /nfs/dbraw/zinc/71/41/68/536714168.db2.gz POEVDVUGSKDMRB-UHFFFAOYSA-N -1 0 342.376 4.511 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000002488517 563433945 /nfs/dbraw/zinc/43/39/45/563433945.db2.gz JGVZQZYRGOFCJB-RLFYNMQTSA-N -1 0 325.795 4.865 50 10 EJCARM C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)[O-])cc2)C1 ZINC000006751210 563585251 /nfs/dbraw/zinc/58/52/51/563585251.db2.gz QXPQWTQAPVPYEN-HNNXBMFYSA-N -1 0 331.415 4.967 50 10 EJCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)c(C)c2)cc1 ZINC000000099256 563981602 /nfs/dbraw/zinc/98/16/02/563981602.db2.gz LMLURRYYXKVUJI-UHFFFAOYSA-N -1 0 349.430 4.787 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(F)(F)F)cc1 ZINC000097963964 564016513 /nfs/dbraw/zinc/01/65/13/564016513.db2.gz YSNRUXLQHCBLDH-SKAIHHOBSA-N -1 0 346.312 4.580 50 10 EJCARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006337781 564085232 /nfs/dbraw/zinc/08/52/32/564085232.db2.gz KIMWWSKAIJIRMR-WWWFNMJVSA-N -1 0 349.390 4.708 50 10 EJCARM Cc1cccc(NCc2c([O-])ccc3c4ccccc4c(=O)oc32)c1 ZINC000006672435 564095799 /nfs/dbraw/zinc/09/57/99/564095799.db2.gz AUEMSRLCGIDGHW-UHFFFAOYSA-N -1 0 331.371 4.572 50 10 EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 ZINC000015218452 564129730 /nfs/dbraw/zinc/12/97/30/564129730.db2.gz WCMULIPDJGIOHP-MEQWQQMJSA-N -1 0 346.814 4.764 50 10 EJCARM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1CCc1ccccc1 ZINC000000469923 209620814 /nfs/dbraw/zinc/62/08/14/209620814.db2.gz KVBDFBSVOUAVEH-UHFFFAOYSA-N -1 0 337.394 4.554 50 10 EJCARM COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000013389533 207384018 /nfs/dbraw/zinc/38/40/18/207384018.db2.gz RIIOHIUWEGYOJT-TXPKVOOTSA-N -1 0 335.403 4.528 50 10 EJCARM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000015938712 563800551 /nfs/dbraw/zinc/80/05/51/563800551.db2.gz DEPBWVRTJQCADN-CKEIUWERSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000100148621 563982377 /nfs/dbraw/zinc/98/23/77/563982377.db2.gz XAGWBIQIOPTHSE-GXDHUFHOSA-N -1 0 346.217 4.712 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000252629349 564123522 /nfs/dbraw/zinc/12/35/22/564123522.db2.gz UEENJMILBUAHJE-OAHLLOKOSA-N -1 0 347.205 4.868 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000102572113 219211341 /nfs/dbraw/zinc/21/13/41/219211341.db2.gz UEENJMILBUAHJE-CVTQAYBASA-N -1 0 347.205 4.868 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000226769578 242114332 /nfs/dbraw/zinc/11/43/32/242114332.db2.gz HYMCVDDWZHBQOW-VFVRVIDISA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000019887831 212079389 /nfs/dbraw/zinc/07/93/89/212079389.db2.gz YWWGHMWJSACFCU-RKVPGOIHSA-N -1 0 325.795 4.865 50 10 EJCARM CC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1 ZINC000000559554 258048710 /nfs/dbraw/zinc/04/87/10/258048710.db2.gz BVUOQHRLYCYESP-UHFFFAOYSA-N -1 0 347.414 4.673 50 10 EJCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1Cl ZINC000005342551 564002814 /nfs/dbraw/zinc/00/28/14/564002814.db2.gz HUYVFEDYLMRPEB-WJDWOHSUSA-N -1 0 339.826 4.675 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000252632265 564086972 /nfs/dbraw/zinc/08/69/72/564086972.db2.gz VSCUXLGBRMENBM-OAHLLOKOSA-N -1 0 347.205 4.868 50 10 EJCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1Cl ZINC000006556664 564092041 /nfs/dbraw/zinc/09/20/41/564092041.db2.gz MUTDIXKKEOTLII-RVDMUPIBSA-N -1 0 339.826 4.675 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000252629348 564123527 /nfs/dbraw/zinc/12/35/27/564123527.db2.gz UEENJMILBUAHJE-HNNXBMFYSA-N -1 0 347.205 4.868 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000013395678 564136367 /nfs/dbraw/zinc/13/63/67/564136367.db2.gz XAGWBIQIOPTHSE-UVTDQMKNSA-N -1 0 346.217 4.712 50 10 EJCARM Cc1ccc(/N=N/c2nnc([N-]c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000028294291 564150920 /nfs/dbraw/zinc/15/09/20/564150920.db2.gz HNJZWGVBRVNFNW-HTXNQAPBSA-N -1 0 340.368 4.914 50 10 EJCARM Nc1c2ccc(-c3cc(Cl)ccc3Cl)nc2sc1C(=O)[O-] ZINC000008783378 564167404 /nfs/dbraw/zinc/16/74/04/564167404.db2.gz KVECOOYHKNQLNM-UHFFFAOYSA-N -1 0 339.203 4.551 50 10 EJCARM Cc1ccc(C)n1[C@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000004089664 210117328 /nfs/dbraw/zinc/11/73/28/210117328.db2.gz GGWFBFBOFXATQV-OAQYLSRUSA-N -1 0 349.430 4.748 50 10 EJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000035534031 202305813 /nfs/dbraw/zinc/30/58/13/202305813.db2.gz YWWGHMWJSACFCU-MPGHIAIKSA-N -1 0 325.795 4.865 50 10 EJCARM CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000000094914 209416341 /nfs/dbraw/zinc/41/63/41/209416341.db2.gz ZAWDYAQQLNNVHP-UHFFFAOYSA-N -1 0 325.433 4.785 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000111442426 220155188 /nfs/dbraw/zinc/15/51/88/220155188.db2.gz BJFQJSHIKCEXET-IIDMSEBBSA-N -1 0 325.795 4.865 50 10 biogenic EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000002578379 205620763 /nfs/dbraw/zinc/62/07/63/205620763.db2.gz JGVZQZYRGOFCJB-VKJFTORMSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000002134500 563423297 /nfs/dbraw/zinc/42/32/97/563423297.db2.gz BJFQJSHIKCEXET-VKJFTORMSA-N -1 0 325.795 4.865 50 10 biogenic EJCARM COc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000006728439 563583139 /nfs/dbraw/zinc/58/31/39/563583139.db2.gz QQIBRIWAXMDLCH-UWVAXJGDSA-N -1 0 335.403 4.528 50 10 EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000015218417 563779962 /nfs/dbraw/zinc/77/99/62/563779962.db2.gz IVWNHJKZDBXOMY-XHBSWPGZSA-N -1 0 342.782 4.780 50 10 EJCARM Oc1c([C@H](Nc2nccs2)c2cccs2)ccc2cccnc21 ZINC000000141248 563987097 /nfs/dbraw/zinc/98/70/97/563987097.db2.gz HPWSXGGWTUPJSA-HNNXBMFYSA-N -1 0 339.445 4.660 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(F)(F)F)cc1 ZINC000097963963 219064998 /nfs/dbraw/zinc/06/49/98/219064998.db2.gz YSNRUXLQHCBLDH-UCMDFWOYSA-N -1 0 346.312 4.580 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140405 210131199 /nfs/dbraw/zinc/13/11/99/210131199.db2.gz JGVZQZYRGOFCJB-MPGHIAIKSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000019887833 212079719 /nfs/dbraw/zinc/07/97/19/212079719.db2.gz YWWGHMWJSACFCU-DAYGRLMNSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000049047918 204365700 /nfs/dbraw/zinc/36/57/00/204365700.db2.gz BJFQJSHIKCEXET-RVKKMQEKSA-N -1 0 325.795 4.865 50 10 biogenic EJCARM CC(=O)c1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)c1 ZINC000000470162 563330756 /nfs/dbraw/zinc/33/07/56/563330756.db2.gz KKNREIUUUYOBQJ-UHFFFAOYSA-N -1 0 347.414 4.673 50 10 EJCARM [O-]c1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2)C1 ZINC000013121764 563688893 /nfs/dbraw/zinc/68/88/93/563688893.db2.gz GAPRSYVKBMTILY-ZDUSSCGKSA-N -1 0 341.625 4.791 50 10 EJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000016160842 563804851 /nfs/dbraw/zinc/80/48/51/563804851.db2.gz PGNJJKHFGCGZNE-UVTDQMKNSA-N -1 0 346.217 4.712 50 10 EJCARM Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c1C ZINC000000094803 563976643 /nfs/dbraw/zinc/97/66/43/563976643.db2.gz BYRBXUMSAGQXQP-UHFFFAOYSA-N -1 0 337.394 4.917 50 10 EJCARM Cc1cc(C)cc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)c1 ZINC000000094882 563976658 /nfs/dbraw/zinc/97/66/58/563976658.db2.gz RJMJFUUPMLVWCO-UHFFFAOYSA-N -1 0 325.433 4.840 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000004140403 210131536 /nfs/dbraw/zinc/13/15/36/210131536.db2.gz JGVZQZYRGOFCJB-HDMKZQKVSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000102572108 219211148 /nfs/dbraw/zinc/21/11/48/219211148.db2.gz UEENJMILBUAHJE-FZFLATATSA-N -1 0 347.205 4.868 50 10 EJCARM CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1 ZINC000000094824 209416364 /nfs/dbraw/zinc/41/63/64/209416364.db2.gz LEPFTBIJROKNIP-UHFFFAOYSA-N -1 0 337.394 4.863 50 10 EJCARM Cc1cc(C)c(C(=O)c2sc3nc(C)cc(C)c3c2[O-])c(C)c1 ZINC000002692947 201540562 /nfs/dbraw/zinc/54/05/62/201540562.db2.gz HWXVAPYBFNXYMM-UHFFFAOYSA-N -1 0 325.433 4.775 50 10 EJCARM CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000094560 563223536 /nfs/dbraw/zinc/22/35/36/563223536.db2.gz QAPDNDVQPVVJIE-UHFFFAOYSA-N -1 0 341.432 4.622 50 10 EJCARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCc2ccccc2)cc1 ZINC000000470264 563330766 /nfs/dbraw/zinc/33/07/66/563330766.db2.gz QIKDRUHTNOQZDM-UHFFFAOYSA-N -1 0 333.431 4.723 50 10 EJCARM CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000000576105 564024035 /nfs/dbraw/zinc/02/40/35/564024035.db2.gz WIHTXXWWIDOYJF-UHFFFAOYSA-N -1 0 335.403 4.560 50 10 EJCARM COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000013389531 564111705 /nfs/dbraw/zinc/11/17/05/564111705.db2.gz RIIOHIUWEGYOJT-JTDSTZFVSA-N -1 0 335.403 4.528 50 10 EJCARM O=C(C(N=Nc1ccccc1)=C([O-])c1ccccc1)c1ccccc1 ZINC000100478995 219100418 /nfs/dbraw/zinc/10/04/18/219100418.db2.gz PJYLHPNLZQYWTN-GHVJWSGMSA-N -1 0 328.371 4.905 50 10 EJCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000043769619 201101644 /nfs/dbraw/zinc/10/16/44/201101644.db2.gz VNUSINHARRHBKC-IIYDPXPESA-N -1 0 325.795 4.865 50 10 EJCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1C ZINC000000094818 201432806 /nfs/dbraw/zinc/43/28/06/201432806.db2.gz KJMWLYMQBOQGQN-UHFFFAOYSA-N -1 0 337.394 4.917 50 10 EJCARM CCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000000454656 563322897 /nfs/dbraw/zinc/32/28/97/563322897.db2.gz VGNDLPHXJKLKMF-UHFFFAOYSA-N -1 0 336.222 4.681 50 10 EJCARM CCOc1ccccc1-c1noc(-c2sc3ccccc3c2[O-])n1 ZINC000012800339 563673818 /nfs/dbraw/zinc/67/38/18/563673818.db2.gz PBIXAXBEGHKUAY-UHFFFAOYSA-N -1 0 338.388 4.723 50 10 EJCARM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1cccs1 ZINC000017887072 564013252 /nfs/dbraw/zinc/01/32/52/564013252.db2.gz JAUFKYYTQOZKRW-ISLYRVAYSA-N -1 0 343.433 4.964 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000044965558 564027914 /nfs/dbraw/zinc/02/79/14/564027914.db2.gz CTHZUZMBWKDXPE-RAXLEYEMSA-N -1 0 346.217 4.712 50 10 EJCARM Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)o1 ZINC000010215215 564175130 /nfs/dbraw/zinc/17/51/30/564175130.db2.gz AXMBZNVELOOBPB-UWJYYQICSA-N -1 0 346.386 4.536 50 10 EJCARM COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004638527 210234782 /nfs/dbraw/zinc/23/47/82/210234782.db2.gz RIIOHIUWEGYOJT-FRQCXROJSA-N -1 0 335.403 4.528 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000003684097 210074206 /nfs/dbraw/zinc/07/42/06/210074206.db2.gz HYMCVDDWZHBQOW-VBHSOAQHSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000037613800 213160153 /nfs/dbraw/zinc/16/01/53/213160153.db2.gz VNUSINHARRHBKC-IGCXYCKISA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000035534028 202305809 /nfs/dbraw/zinc/30/58/09/202305809.db2.gz YWWGHMWJSACFCU-RLFYNMQTSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000229904903 242213707 /nfs/dbraw/zinc/21/37/07/242213707.db2.gz HYMCVDDWZHBQOW-SNUQEOBHSA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000000094348 563223631 /nfs/dbraw/zinc/22/36/31/563223631.db2.gz JGVZQZYRGOFCJB-DAYGRLMNSA-N -1 0 325.795 4.865 50 10 EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 ZINC000000084473 564082391 /nfs/dbraw/zinc/08/23/91/564082391.db2.gz WCMULIPDJGIOHP-YMEQNVIZSA-N -1 0 346.814 4.764 50 10 EJCARM [O-]c1c2cccnc2sc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000006585756 564092239 /nfs/dbraw/zinc/09/22/39/564092239.db2.gz UTFONPURSXKNLL-UHFFFAOYSA-N -1 0 328.780 4.977 50 10 EJCARM Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C(=O)C=Cc2ccccc21 ZINC000004528652 210214635 /nfs/dbraw/zinc/21/46/35/210214635.db2.gz FEACTMUAXQJDBH-VHEBQXMUSA-N -1 0 342.376 4.516 50 10 EJCARM Cc1ccccc1/N=N/c1ccc(NC(=O)CCC(=O)[O-])c(C)c1 ZINC000004506719 210208152 /nfs/dbraw/zinc/20/81/52/210208152.db2.gz QMVRFDSBBIFVNN-QZQOTICOSA-N -1 0 325.368 4.522 50 10 EJCARM COc1ccccc1N=Nc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000004503310 210206115 /nfs/dbraw/zinc/20/61/15/210206115.db2.gz FKSCPRQUUKFLFV-FMQUCBEESA-N -1 0 342.786 4.964 50 10 EJCARM O=C([O-])CCCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1 ZINC000004179169 210140519 /nfs/dbraw/zinc/14/05/19/210140519.db2.gz FQBBOGRHMRUVJD-UHFFFAOYSA-N -1 0 349.386 4.826 50 10 EJCARM COc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000004123722 210126237 /nfs/dbraw/zinc/12/62/37/210126237.db2.gz QQIBRIWAXMDLCH-ZWOKBUDYSA-N -1 0 335.403 4.528 50 10 EJCARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1 ZINC000000094936 563223867 /nfs/dbraw/zinc/22/38/67/563223867.db2.gz CTDLYQFDJSGZKU-UHFFFAOYSA-N -1 0 341.794 4.521 50 10 EJCARM S=C([N-]Cc1cccnc1)SCc1cc(Cl)sc1Cl ZINC000000142753 563242912 /nfs/dbraw/zinc/24/29/12/563242912.db2.gz DGYDYUNBWSVWEX-UHFFFAOYSA-N -1 0 349.333 4.758 50 10 EJCARM Cc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000000536306 563343434 /nfs/dbraw/zinc/34/34/34/563343434.db2.gz FNULBYLXFMRWJU-UHFFFAOYSA-N -1 0 337.400 4.674 50 10 EJCARM Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000000570938 563349663 /nfs/dbraw/zinc/34/96/63/563349663.db2.gz JJVSQEOORBMSSU-UHFFFAOYSA-N -1 0 337.400 4.674 50 10 EJCARM C[C@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1O ZINC000000617470 563359192 /nfs/dbraw/zinc/35/91/92/563359192.db2.gz UUJROZNSAIIXMR-VIFPVBQESA-N -1 0 326.621 4.981 50 10 EJCARM O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000015218414 563779979 /nfs/dbraw/zinc/77/99/79/563779979.db2.gz IVWNHJKZDBXOMY-BFQNTYOBSA-N -1 0 342.782 4.780 50 10 EJCARM Nc1c(C(=O)[O-])sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12 ZINC000000193187 563917050 /nfs/dbraw/zinc/91/70/50/563917050.db2.gz HGXZBFMGOXOOFP-UHFFFAOYSA-N -1 0 344.823 4.775 50 10 EJCARM Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1C ZINC000000094880 563976652 /nfs/dbraw/zinc/97/66/52/563976652.db2.gz IOVBKPFMHLSSRV-UHFFFAOYSA-N -1 0 325.433 4.840 50 10 EJCARM Oc1c([C@@H](Nc2nccs2)c2cccs2)ccc2cccnc21 ZINC000000141250 563987088 /nfs/dbraw/zinc/98/70/88/563987088.db2.gz HPWSXGGWTUPJSA-OAHLLOKOSA-N -1 0 339.445 4.660 50 10 EJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000049089980 564074624 /nfs/dbraw/zinc/07/46/24/564074624.db2.gz JGVZQZYRGOFCJB-RVKKMQEKSA-N -1 0 325.795 4.865 50 10 EJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000252632264 564086995 /nfs/dbraw/zinc/08/69/95/564086995.db2.gz VSCUXLGBRMENBM-HNNXBMFYSA-N -1 0 347.205 4.868 50 10 EJCARM Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CCC(=O)[O-])cc1 ZINC000004695659 210250346 /nfs/dbraw/zinc/25/03/46/210250346.db2.gz PKRGXTWTSPTONO-QZQOTICOSA-N -1 0 325.368 4.522 50 10 EJCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000100147877 219092284 /nfs/dbraw/zinc/09/22/84/219092284.db2.gz SFRJBRHKTWQLCB-NTUHNPAUSA-N -1 0 347.201 4.505 50 10 EJCARM Cc1ccccc1/N=N/c1ccc(NC(=O)CCC(=O)[O-])cc1C ZINC000101412823 219126360 /nfs/dbraw/zinc/12/63/60/219126360.db2.gz CUXZGIVPWPTZLZ-QZQOTICOSA-N -1 0 325.368 4.522 50 10 EJCARM CCOc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000004172130 210138005 /nfs/dbraw/zinc/13/80/05/210138005.db2.gz QWJMABCFVYELBB-GJYPPUQNSA-N -1 0 335.403 4.610 50 10 EJCARM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004045826 210107683 /nfs/dbraw/zinc/10/76/83/210107683.db2.gz DEPBWVRTJQCADN-JJRVBVJISA-N -1 0 325.795 4.865 50 10 EJCARM O=C([O-])c1ccc([N-][NH+]=c2c3ccccc3[nH]c3ccccc32)cc1 ZINC000019854680 212076728 /nfs/dbraw/zinc/07/67/28/212076728.db2.gz HSMLASYALJZKSQ-UHFFFAOYSA-N -1 0 329.359 4.525 50 10 EJCARM [O-]c1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000013121765 563688945 /nfs/dbraw/zinc/68/89/45/563688945.db2.gz GAPRSYVKBMTILY-CYBMUJFWSA-N -1 0 341.625 4.791 50 10 EJCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)cc2C)cc1 ZINC000000037737 563968367 /nfs/dbraw/zinc/96/83/67/563968367.db2.gz MFUIPNJGMQDCBB-UHFFFAOYSA-N -1 0 349.430 4.787 50 10 EJCARM CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC(C)(C)C1 ZINC000000507419 564019712 /nfs/dbraw/zinc/01/97/12/564019712.db2.gz KJBFBCNIYLJEIB-QURGRASLSA-N -1 0 346.406 4.604 50 10 EJCARM Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)o1 ZINC000102907265 564020928 /nfs/dbraw/zinc/02/09/28/564020928.db2.gz AXMBZNVELOOBPB-UTKZUKDTSA-N -1 0 346.386 4.536 50 10 EJCARM