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/C(=C\c2cccs2)SC(=S)N1c1cccc(Cl)c1 ZINC000004698709 210251863 /nfs/dbraw/zinc/25/18/63/210251863.db2.gz CXZDTEWIEREGIZ-XYOKQWHBSA-N 0 0 337.878 4.807 50 10 EJCARN O=[N+]([O-])c1ccc(NCc2cccc(CNc3ccc(O)cc3)c2)cc1 ZINC000004530679 210215476 /nfs/dbraw/zinc/21/54/76/210215476.db2.gz KKAAEUDBVYGPJH-UHFFFAOYSA-N 0 0 349.390 4.525 50 10 EJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc(C)ccc1C ZINC000100041071 219088846 /nfs/dbraw/zinc/08/88/46/219088846.db2.gz MOKVGMPKSKSTSR-GZTJUZNOSA-N 0 0 339.826 4.675 50 10 EJCARN COc1ccc2ccccc2c1/C=C1/C(C)=NN(c2ccccc2)C1=O ZINC000004499248 210205495 /nfs/dbraw/zinc/20/54/95/210205495.db2.gz LQCDMYXJDPOSHZ-RGEXLXHISA-N 0 0 342.398 4.655 50 10 EJCARN COc1ccc(/N=N/c2nc3ccc(Br)cc3n2C)cc1 ZINC000100350053 219097310 /nfs/dbraw/zinc/09/73/10/219097310.db2.gz FZNBIBWHUXFOMF-VHEBQXMUSA-N 0 0 345.200 4.760 50 10 EJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000100488870 219100425 /nfs/dbraw/zinc/10/04/25/219100425.db2.gz ZKWJBEKSJVCYRR-RIYZIHGNSA-N 0 0 347.201 4.505 50 10 EJCARN CCCCc1ccc(C(=O)CCC2C(=O)c3ccccc3C2=O)cc1 ZINC000100810187 219107076 /nfs/dbraw/zinc/10/70/76/219107076.db2.gz BZNMFPBHYFUEHP-UHFFFAOYSA-N 0 0 334.415 4.688 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172135 210138152 /nfs/dbraw/zinc/13/81/52/210138152.db2.gz OIOVQSHPKRBUIM-VKJFTORMSA-N 0 0 339.822 4.953 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004151351 210132519 /nfs/dbraw/zinc/13/25/19/210132519.db2.gz XXPNVELGKOEDDE-UEXGIBASSA-N 0 0 333.431 4.917 50 10 EJCARN Oc1ccc(C2=NN(c3ccccc3)[C@H](C=C(Cl)Cl)C2)cc1 ZINC000004011885 210100215 /nfs/dbraw/zinc/10/02/15/210100215.db2.gz SBNNDXKQXGKDGE-AWEZNQCLSA-N 0 0 333.218 4.694 50 10 EJCARN Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004004315 210098232 /nfs/dbraw/zinc/09/82/32/210098232.db2.gz AWUIRYGRUKHSCI-HEHGZKQESA-N 0 0 345.215 4.810 50 10 EJCARN CN(C)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000003617536 210067578 /nfs/dbraw/zinc/06/75/78/210067578.db2.gz IYHIQEWHNKMCPO-UHFFFAOYSA-N 0 0 332.403 4.797 50 10 EJCARN Oc1ccc(Br)cc1CNc1ccc(F)cc1Cl ZINC000044836218 213649317 /nfs/dbraw/zinc/64/93/17/213649317.db2.gz CJDVOWVAGVKROB-UHFFFAOYSA-N 0 0 330.584 4.559 50 10 EJCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000003030790 209955482 /nfs/dbraw/zinc/95/54/82/209955482.db2.gz SFAYDEMUHBPURL-UVTDQMKNSA-N 0 0 331.849 4.746 50 10 EJCARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1[C@@H](C)c1ccccc1O ZINC000067740556 215199820 /nfs/dbraw/zinc/19/98/20/215199820.db2.gz ZCBIXGXOIBXLBA-HNNXBMFYSA-N 0 0 344.418 4.564 50 10 EJCARN COc1ccc2ccccc2c1/C=C1\C(C)=NN(c2ccccc2)C1=O ZINC000033281410 212914969 /nfs/dbraw/zinc/91/49/69/212914969.db2.gz LQCDMYXJDPOSHZ-XMHGGMMESA-N 0 0 342.398 4.655 50 10 EJCARN Cc1c(OC(=O)c2ccco2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000090979 209413948 /nfs/dbraw/zinc/41/39/48/209413948.db2.gz VYLUCZKLUIZYEL-UHFFFAOYSA-N 0 0 346.338 4.581 50 10 biogenic EJCARN Cc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1 ZINC000027533615 212561675 /nfs/dbraw/zinc/56/16/75/212561675.db2.gz HLJNJDGQQABVOC-UVDQGBRZSA-N 0 0 327.430 4.550 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 ZINC000043769571 202516852 /nfs/dbraw/zinc/51/68/52/202516852.db2.gz JUYCHQWVDSKDAZ-SIFCLUCFSA-N 0 0 337.394 4.829 50 10 EJCARN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023323 212270634 /nfs/dbraw/zinc/27/06/34/212270634.db2.gz ZUCUPAKYMMMZRG-MRXNPFEDSA-N 0 0 337.250 4.821 50 10 EJCARN Cc1cccc([C@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)c1O ZINC000004814049 201620744 /nfs/dbraw/zinc/62/07/44/201620744.db2.gz JLGFDZOLDBGVMJ-QGZVFWFLSA-N 0 0 336.416 4.858 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000004852951 201623632 /nfs/dbraw/zinc/62/36/32/201623632.db2.gz KGHDYQBQZDWOQU-FRQCXROJSA-N 0 0 336.391 4.820 50 10 EJCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(F)cc3)S2)c1C ZINC000004567512 201606602 /nfs/dbraw/zinc/60/66/02/201606602.db2.gz ZUMXYSLKWSXLGJ-MHWRWJLKSA-N 0 0 326.396 4.525 50 10 EJCARN CCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000004623261 201608804 /nfs/dbraw/zinc/60/88/04/201608804.db2.gz AJDIKOQIHQXXBC-UHFFFAOYSA-N 0 0 331.375 4.593 50 10 EJCARN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000072117352 203163567 /nfs/dbraw/zinc/16/35/67/203163567.db2.gz GJNJGGJALHPLCG-DLBZAZTESA-N 0 0 337.467 4.806 50 10 EJCARN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000072116076 203163934 /nfs/dbraw/zinc/16/39/34/203163934.db2.gz GOQWKTSADONAOR-QGZVFWFLSA-N 0 0 337.467 4.806 50 10 EJCARN CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCCN32)cc1 ZINC000019324262 212014993 /nfs/dbraw/zinc/01/49/93/212014993.db2.gz NEVIELUTPGBCJW-PKTZIBPZSA-N 0 0 349.522 4.512 50 10 EJCARN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccccc1F ZINC000016672842 211927838 /nfs/dbraw/zinc/92/78/38/211927838.db2.gz GRSZKDCOHSSIAJ-ZROIWOOFSA-N 0 0 332.787 4.562 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1c(C)cccc1C ZINC000015134098 211804411 /nfs/dbraw/zinc/80/44/11/211804411.db2.gz QZXHFBUQPPOGQA-UNOMPAQXSA-N 0 0 333.435 4.639 50 10 EJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004123590 205682319 /nfs/dbraw/zinc/68/23/19/205682319.db2.gz USDQDXGEBRBHHC-IPJJNNNSSA-N 0 0 347.414 4.641 50 10 EJCARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000013476472 211564419 /nfs/dbraw/zinc/56/44/19/211564419.db2.gz HHPFUZNJUOKTLM-GXDHUFHOSA-N 0 0 331.849 4.746 50 10 EJCARN Cc1cc(CNC(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000009228844 211057188 /nfs/dbraw/zinc/05/71/88/211057188.db2.gz BXZVOBBJMMGRTJ-UHFFFAOYSA-N 0 0 333.435 4.724 50 10 EJCARN Cc1csc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000006831961 210724504 /nfs/dbraw/zinc/72/45/04/210724504.db2.gz SLMLSLHANWVHND-UHFFFAOYSA-N 0 0 342.489 4.834 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000004852946 210300566 /nfs/dbraw/zinc/30/05/66/210300566.db2.gz KGHDYQBQZDWOQU-TXPKVOOTSA-N 0 0 336.391 4.820 50 10 EJCARN Cc1ccc([C@H](Nc2ccccn2)c2c(O)ccc3ncccc32)cc1 ZINC000004843244 210297140 /nfs/dbraw/zinc/29/71/40/210297140.db2.gz DQVBVAOJAOOSFS-QFIPXVFZSA-N 0 0 341.414 4.845 50 10 EJCARN Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccccc1 ZINC000004842350 210295895 /nfs/dbraw/zinc/29/58/95/210295895.db2.gz JCZHIEQXDWYEEL-OAQYLSRUSA-N 0 0 327.387 4.537 50 10 EJCARN CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S ZINC000004816021 210286680 /nfs/dbraw/zinc/28/66/80/210286680.db2.gz VGSVIVKGFYELRF-LGMDPLHJSA-N 0 0 339.485 4.965 50 10 EJCARN Cc1ccc(C)n1-c1ccc(-c2ccnc(-c3ccccn3)n2)cc1 ZINC000001386317 258049011 /nfs/dbraw/zinc/04/90/11/258049011.db2.gz RAQZSWRTVBLGRQ-UHFFFAOYSA-N 0 0 326.403 4.613 50 10 EJCARN CC(C)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000005498194 563535419 /nfs/dbraw/zinc/53/54/19/563535419.db2.gz DFFVYOSKMSPAOJ-IZZDOVSWSA-N 0 0 332.277 4.603 50 10 EJCARN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1C ZINC000000084093 563219744 /nfs/dbraw/zinc/21/97/44/563219744.db2.gz ZVOZFLOVBZOBNR-XNTDXEJSSA-N 0 0 326.779 4.638 50 10 EJCARN CC(C)(C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000136804 563240793 /nfs/dbraw/zinc/24/07/93/563240793.db2.gz MVNNBWUETIDNRH-FQEVSTJZSA-N 0 0 333.431 4.797 50 10 EJCARN CCc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000000340973 563286206 /nfs/dbraw/zinc/28/62/06/563286206.db2.gz MALKTBVPQWNWFQ-UHFFFAOYSA-N 0 0 341.410 4.636 50 10 EJCARN CCC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000446265 563317339 /nfs/dbraw/zinc/31/73/39/563317339.db2.gz ITFYIJMUOSWPKA-FQEVSTJZSA-N 0 0 339.822 4.814 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)o1 ZINC000001002946 563368004 /nfs/dbraw/zinc/36/80/04/563368004.db2.gz PWLDNFADTOZHEO-DHDCSXOGSA-N 0 0 329.446 4.611 50 10 EJCARN CCc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000001136095 563375934 /nfs/dbraw/zinc/37/59/34/563375934.db2.gz YSLPLGPNBFLLRB-WJDWOHSUSA-N 0 0 343.448 4.794 50 10 EJCARN CCOc1cc(C)c(/C=C2\SC(=S)N(CC)C2=O)cc1C(C)C ZINC000001163642 563376758 /nfs/dbraw/zinc/37/67/58/563376758.db2.gz HRMVMFACZSAPIL-YBEGLDIGSA-N 0 0 349.521 4.738 50 10 EJCARN CSc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001188791 563378367 /nfs/dbraw/zinc/37/83/67/563378367.db2.gz SLNXHTJMTDLVPB-RVDMUPIBSA-N 0 0 343.498 4.814 50 10 EJCARN Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2 ZINC000001461880 563390286 /nfs/dbraw/zinc/39/02/86/563390286.db2.gz KJEPIEODQZVTJC-CKEIUWERSA-N 0 0 327.225 4.671 50 10 EJCARN Cc1cc2c(n1-c1cc(Cl)c(O)c(Cl)c1)CC(C)(C)CC2=O ZINC000002512808 563435325 /nfs/dbraw/zinc/43/53/25/563435325.db2.gz ALZFSHITWHCRDU-UHFFFAOYSA-N 0 0 338.234 4.953 50 10 EJCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000002678058 563445571 /nfs/dbraw/zinc/44/55/71/563445571.db2.gz DUZYZGMEQCQYBG-YYTPVVGHSA-N 0 0 349.521 4.810 50 10 EJCARN CCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000002706887 563446606 /nfs/dbraw/zinc/44/66/06/563446606.db2.gz JUKBRKSSCVNGKU-QINSGFPZSA-N 0 0 333.522 4.985 50 10 EJCARN Cc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)s1 ZINC000004123995 563495153 /nfs/dbraw/zinc/49/51/53/563495153.db2.gz HFGMIGJDJWLJDQ-LJQANCHMSA-N 0 0 347.443 4.907 50 10 EJCARN CC(C)CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000005497842 563535365 /nfs/dbraw/zinc/53/53/65/563535365.db2.gz XMLZYGLDSOSGTN-WUXMJOGZSA-N 0 0 346.304 4.851 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21 ZINC000005740574 563548453 /nfs/dbraw/zinc/54/84/53/563548453.db2.gz ZSNZIOLOVSOIRF-JTDSTZFVSA-N 0 0 336.391 4.738 50 10 EJCARN CCCCCCN1C(=O)/C(=C/c2sccc2C)SC1=S ZINC000002666825 563601241 /nfs/dbraw/zinc/60/12/41/563601241.db2.gz KGFFWLRNTRGTME-RAXLEYEMSA-N 0 0 325.524 4.838 50 10 EJCARN CC(=O)c1c(C)nc2c(c1-c1ccc(C)cc1)C(=O)c1ccccc1-2 ZINC000004473294 563728410 /nfs/dbraw/zinc/72/84/10/563728410.db2.gz VMWMNIDSRAJWMR-UHFFFAOYSA-N 0 0 327.383 4.779 50 10 EJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc2ccccc21 ZINC000015134067 563778739 /nfs/dbraw/zinc/77/87/39/563778739.db2.gz JTECCSQYZCZRAR-XSFVSMFZSA-N 0 0 341.414 4.867 50 10 EJCARN Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000016293397 563808083 /nfs/dbraw/zinc/80/80/83/563808083.db2.gz AWUIRYGRUKHSCI-XJKCOSOUSA-N 0 0 345.215 4.810 50 10 EJCARN CCCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000016699690 563821526 /nfs/dbraw/zinc/82/15/26/563821526.db2.gz FNUDJSUDCWLIPP-WJDWOHSUSA-N 0 0 349.521 4.723 50 10 EJCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C1CCCCC1 ZINC000016790825 563824111 /nfs/dbraw/zinc/82/41/11/563824111.db2.gz YIJPHEUESDDKAR-SBFJKYRKSA-N 0 0 329.490 4.777 50 10 EJCARN CSc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000033294179 563973110 /nfs/dbraw/zinc/97/31/10/563973110.db2.gz SSRWHBSOZILWBE-LFIBNONCSA-N 0 0 325.458 4.778 50 10 EJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000033322338 563974012 /nfs/dbraw/zinc/97/40/12/563974012.db2.gz YQKJSYCUHHVUDH-ZSOIEALJSA-N 0 0 332.425 4.562 50 10 EJCARN Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1 ZINC000005171749 563999886 /nfs/dbraw/zinc/99/98/86/563999886.db2.gz GDQDZNDPJXBFFH-MDWZMJQESA-N 0 0 335.837 4.647 50 10 EJCARN O=C1/C(=C/c2ccsc2)SC(=S)N1c1cccc(Cl)c1 ZINC000005172072 563999895 /nfs/dbraw/zinc/99/98/95/563999895.db2.gz KGBLNZKVDRQTDP-SDQBBNPISA-N 0 0 337.878 4.807 50 10 EJCARN CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000101003496 564017240 /nfs/dbraw/zinc/01/72/40/564017240.db2.gz JXRAWGGCSQDOND-VIZOYTHASA-N 0 0 349.192 4.939 50 10 EJCARN CC(=O)c1c(C)nc2c(c1-c1ccc(F)cc1)C(=O)c1ccccc1-2 ZINC000000523471 564021139 /nfs/dbraw/zinc/02/11/39/564021139.db2.gz HKQABKGJOBCSRM-UHFFFAOYSA-N 0 0 331.346 4.610 50 10 EJCARN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000001008398 564054006 /nfs/dbraw/zinc/05/40/06/564054006.db2.gz CWQLLVZBAFJREH-ZSRMJVKVSA-N 0 0 344.480 4.512 50 10 EJCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(Cl)c1 ZINC000001043736 564054217 /nfs/dbraw/zinc/05/42/17/564054217.db2.gz CXZDTEWIEREGIZ-WQLSENKSSA-N 0 0 337.878 4.807 50 10 EJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000001252311 564062776 /nfs/dbraw/zinc/06/27/76/564062776.db2.gz IGSAQXPVIKWHEX-ZSOIEALJSA-N 0 0 349.839 4.885 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1C ZINC000006173816 564077232 /nfs/dbraw/zinc/07/72/32/564077232.db2.gz UMCKZDPJMGCHSZ-MHWRWJLKSA-N 0 0 343.448 4.848 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccccc1OC(C)C ZINC000075259707 564081243 /nfs/dbraw/zinc/08/12/43/564081243.db2.gz GMTOEOFJKUXUPT-DEDYPNTBSA-N 0 0 348.446 4.897 50 10 EJCARN Cc1ccc(C)n1-c1ccsc1-c1nn2c(nc(C)cc2C)c1C ZINC000006216157 564082972 /nfs/dbraw/zinc/08/29/72/564082972.db2.gz AMJWEPGZVVNYKS-UHFFFAOYSA-N 0 0 336.464 4.791 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 ZINC000245232599 564088622 /nfs/dbraw/zinc/08/86/22/564088622.db2.gz YOIYDNCFRCFMAZ-FVQSIRDASA-N 0 0 340.423 4.804 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 ZINC000006630653 564094696 /nfs/dbraw/zinc/09/46/96/564094696.db2.gz SFADYRZNMJTATJ-HLIPFELVSA-N 0 0 337.394 4.829 50 10 EJCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccs1 ZINC000006721624 564096369 /nfs/dbraw/zinc/09/63/69/564096369.db2.gz SUEDMBTZTFQXGD-UZLBHIALSA-N 0 0 348.427 4.696 50 10 EJCARN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c(C)s1 ZINC000007674242 564121787 /nfs/dbraw/zinc/12/17/87/564121787.db2.gz GKPHKTSOGJLAMB-UHFFFAOYSA-N 0 0 342.489 4.740 50 10 EJCARN Cc1cc(-c2cc(N)n(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000003197549 564155888 /nfs/dbraw/zinc/15/58/88/564155888.db2.gz QHAMUNSGTDZARW-UHFFFAOYSA-N 0 0 346.409 4.668 50 10 EJCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004718493 210258137 /nfs/dbraw/zinc/25/81/37/210258137.db2.gz NIEIBSOENFBQGF-HLIPFELVSA-N 0 0 334.375 4.624 50 10 EJCARN COC(=O)c1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 ZINC000004713891 210255934 /nfs/dbraw/zinc/25/59/34/210255934.db2.gz UTBZYZQSIPPXMZ-XDHOZWIPSA-N 0 0 348.398 4.578 50 10 EJCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000004714577 210255844 /nfs/dbraw/zinc/25/58/44/210255844.db2.gz IVUXSKSZLUOREP-ZSOIEALJSA-N 0 0 349.839 4.885 50 10 EJCARN CN(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000057211623 214411347 /nfs/dbraw/zinc/41/13/47/214411347.db2.gz UQOPUGXBYMSITD-UHFFFAOYSA-N 0 0 342.446 4.704 50 10 EJCARN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3F)S2)c1C ZINC000004567511 210223363 /nfs/dbraw/zinc/22/33/63/210223363.db2.gz IOAPKCVVACTRPA-MHWRWJLKSA-N 0 0 326.396 4.525 50 10 EJCARN Nc1ccc(/N=N/c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1 ZINC000100048752 219089390 /nfs/dbraw/zinc/08/93/90/219089390.db2.gz BDFZFGDTHFGWRQ-OGGGYYITSA-N 0 0 346.398 4.846 50 10 in-vitro EJCARN CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000100074394 219090793 /nfs/dbraw/zinc/09/07/93/219090793.db2.gz SXHUBOLNSOIMCA-VHEBQXMUSA-N 0 0 328.372 4.865 50 10 EJCARN Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1 ZINC000100550218 219102143 /nfs/dbraw/zinc/10/21/43/219102143.db2.gz LKTNEXPODAWWFM-GHVJWSGMSA-N 0 0 333.395 4.705 50 10 in-vitro EJCARN COc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004320917 210170877 /nfs/dbraw/zinc/17/08/77/210170877.db2.gz JLGXPLMOEUEIGL-JCGVRSQUSA-N 0 0 340.354 4.569 50 10 EJCARN COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)c1OC ZINC000004183301 210141175 /nfs/dbraw/zinc/14/11/75/210141175.db2.gz PFQLKUOLASFGDB-CKJXQJPGSA-N 0 0 349.430 4.733 50 10 EJCARN Brc1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 ZINC000004168338 210138632 /nfs/dbraw/zinc/13/86/32/210138632.db2.gz IFRQHBFWQRFPTC-WOSRLPQWSA-N 0 0 327.225 4.671 50 10 EJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000004123593 210126743 /nfs/dbraw/zinc/12/67/43/210126743.db2.gz USDQDXGEBRBHHC-KNKQGSTJSA-N 0 0 347.414 4.641 50 10 EJCARN CCCCC(O)(CCCC)C(=O)N=NC1c2ccccc2N(C)C1=O ZINC000103561312 219313874 /nfs/dbraw/zinc/31/38/74/219313874.db2.gz FPFYEFXFYXHHBD-QZQOTICOSA-N 0 0 345.443 4.606 50 10 EJCARN CCOc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001242491 209721036 /nfs/dbraw/zinc/72/10/36/209721036.db2.gz FHQSITBMACUAPI-UVTDQMKNSA-N 0 0 347.486 4.553 50 10 EJCARN CC(C)[C@H]1CC(=O)Oc2c3ccccc3c3nc4ccccc4nc3c21 ZINC000217800949 241274218 /nfs/dbraw/zinc/27/42/18/241274218.db2.gz GHNPXEGNEKDEMN-OAHLLOKOSA-N 0 0 342.398 4.985 50 10 biogenic EJCARN O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001086539 201499068 /nfs/dbraw/zinc/49/90/68/201499068.db2.gz HQVQKKXNCMMATE-GXDHUFHOSA-N 0 0 331.849 4.746 50 10 EJCARN Cc1ccc([C@@H]2N=C(c3cccs3)C[C@H](c3ccccc3O)N2)cc1 ZINC000020763464 212169090 /nfs/dbraw/zinc/16/90/90/212169090.db2.gz NXLZTOCRLNJHMO-UTKZUKDTSA-N 0 0 348.471 4.985 50 10 EJCARN CCN(CC)c1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000020060229 212098943 /nfs/dbraw/zinc/09/89/43/212098943.db2.gz BYJGRJOYZFHPHH-QFIPXVFZSA-N 0 0 346.478 4.986 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 ZINC000019897989 212080364 /nfs/dbraw/zinc/08/03/64/212080364.db2.gz KYFFIMLKXVFFQT-BDKUJZOCSA-N 0 0 337.469 4.957 50 10 EJCARN CC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000012553054 211407709 /nfs/dbraw/zinc/40/77/09/211407709.db2.gz UMWLIDQPVCZRSB-UHFFFAOYSA-N 0 0 346.430 4.857 50 10 EJCARN Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1Cl ZINC000012462331 211389173 /nfs/dbraw/zinc/38/91/73/211389173.db2.gz MSSKPFLEWKFPNB-ZSOIEALJSA-N 0 0 349.864 4.739 50 10 EJCARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000012411789 211372214 /nfs/dbraw/zinc/37/22/14/211372214.db2.gz WWNIPGDEZQWGPA-QNGOZBTKSA-N 0 0 347.462 4.647 50 10 EJCARN CCCCCCn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000009192510 211050022 /nfs/dbraw/zinc/05/00/22/211050022.db2.gz QZCMJFNGQNVXLR-LFIBNONCSA-N 0 0 344.505 4.710 50 10 EJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3CC(C)C)c1 ZINC000006721656 210690819 /nfs/dbraw/zinc/69/08/19/210690819.db2.gz BEAMYWSBNKKYIF-WIYYLYMNSA-N 0 0 336.435 4.616 50 10 EJCARN CC(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005690024 210517460 /nfs/dbraw/zinc/51/74/60/210517460.db2.gz XXMWTWPHTRVEQD-VZUCSPMQSA-N 0 0 332.277 4.603 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc(C)ccc1C ZINC000096793231 218890524 /nfs/dbraw/zinc/89/05/24/218890524.db2.gz LJNQJGFQABMLAE-XDHOZWIPSA-N 0 0 333.435 4.639 50 10 EJCARN Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1ccc(F)cc1 ZINC000005225942 210418596 /nfs/dbraw/zinc/41/85/96/210418596.db2.gz VZFKLFVXQUZLBJ-UHFFFAOYSA-N 0 0 340.423 4.603 50 10 EJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005050458 210375419 /nfs/dbraw/zinc/37/54/19/210375419.db2.gz ZSAIEANMWVDUGX-ZTMOJVSCSA-N 0 0 331.487 4.711 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005051154 210375459 /nfs/dbraw/zinc/37/54/59/210375459.db2.gz LKNREEINIRIZAN-JASJWYONSA-N 0 0 343.448 4.788 50 10 EJCARN Cc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc32)cc1 ZINC000004843245 210298050 /nfs/dbraw/zinc/29/80/50/210298050.db2.gz DQVBVAOJAOOSFS-JOCHJYFZSA-N 0 0 341.414 4.845 50 10 EJCARN Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000004748005 210269499 /nfs/dbraw/zinc/26/94/99/210269499.db2.gz SXHJVLIIIZRJRK-UHFFFAOYSA-N 0 0 348.849 4.555 50 10 EJCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccc1 ZINC000245298347 258000378 /nfs/dbraw/zinc/00/03/78/258000378.db2.gz ZZRHRDVRAIGEOG-KNQAVFIVSA-N 0 0 342.398 4.635 50 10 EJCARN CCCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000000111433 563229974 /nfs/dbraw/zinc/22/99/74/563229974.db2.gz CYKZOPPXWPWGLE-UHFFFAOYSA-N 0 0 331.419 4.917 50 10 EJCARN COc1ccc2ccccc2c1/C=C1\SC(c2ccccc2)=NC1=O ZINC000000248183 563266489 /nfs/dbraw/zinc/26/64/89/563266489.db2.gz FXRSELWNKINPGN-UYRXBGFRSA-N 0 0 345.423 4.910 50 10 EJCARN CC(C)CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000379088 563299378 /nfs/dbraw/zinc/29/93/78/563299378.db2.gz UOLRIUAWKGHNQT-JOCHJYFZSA-N 0 0 333.431 4.797 50 10 EJCARN Cc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc32)cc1 ZINC000000446388 563317326 /nfs/dbraw/zinc/31/73/26/563317326.db2.gz ATNBYMSGDQQTHO-NRFANRHFSA-N 0 0 333.431 4.715 50 10 EJCARN CCCC(=O)N[C@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000000446485 563317372 /nfs/dbraw/zinc/31/73/72/563317372.db2.gz PAZAAPXEZGHLNW-JOCHJYFZSA-N 0 0 333.431 4.860 50 10 EJCARN CC[C@@H](C)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001164911 563376952 /nfs/dbraw/zinc/37/69/52/563376952.db2.gz AKHZAUABDIXJHS-HLPMDPMVSA-N 0 0 346.304 4.993 50 10 EJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1Cl ZINC000001227141 563380356 /nfs/dbraw/zinc/38/03/56/563380356.db2.gz BSCQWUDDUDYKSL-UVTDQMKNSA-N 0 0 331.849 4.746 50 10 EJCARN CC(C)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001446644 563389616 /nfs/dbraw/zinc/38/96/16/563389616.db2.gz WCAGDHMBDJUAQB-SDQBBNPISA-N 0 0 346.304 4.851 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 ZINC000001452316 563389898 /nfs/dbraw/zinc/38/98/98/563389898.db2.gz DYOPKXFYNCISOF-ZROIWOOFSA-N 0 0 331.487 4.771 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C ZINC000001828555 563413720 /nfs/dbraw/zinc/41/37/20/563413720.db2.gz GGOKQXIFBTUHMN-YBEGLDIGSA-N 0 0 343.448 4.848 50 10 EJCARN CCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1O ZINC000001830184 563413722 /nfs/dbraw/zinc/41/37/22/563413722.db2.gz ZWQBXELJPZSMPC-UHFFFAOYSA-N 0 0 329.831 4.808 50 10 EJCARN Cc1nc[nH]c1CSCCOC(c1ccccc1)c1ccccc1 ZINC000002187356 563426162 /nfs/dbraw/zinc/42/61/62/563426162.db2.gz QBXOTSRUZXMIMX-UHFFFAOYSA-N 0 0 338.476 4.758 50 10 EJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccsc3)c(O)c2n1 ZINC000002502836 563434490 /nfs/dbraw/zinc/43/44/90/563434490.db2.gz PTPKJKSDOYLMPY-GOSISDBHSA-N 0 0 347.443 4.907 50 10 EJCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000002678125 563445535 /nfs/dbraw/zinc/44/55/35/563445535.db2.gz INGAQCMJEHLLOQ-YYTPVVGHSA-N 0 0 349.521 4.810 50 10 EJCARN CCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002707113 563446641 /nfs/dbraw/zinc/44/66/41/563446641.db2.gz ASHJMLRCKGFPBM-GHXNOFRVSA-N 0 0 346.304 4.995 50 10 EJCARN CCN(CC)c1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000003002522 563469135 /nfs/dbraw/zinc/46/91/35/563469135.db2.gz CKWZYKPCJJSYCM-PXQGNLLHSA-N 0 0 346.430 4.542 50 10 EJCARN COc1cccc(/C=C2/C(C)=NN(c3ccc4ccccc4c3)C2=O)c1 ZINC000004628853 563506089 /nfs/dbraw/zinc/50/60/89/563506089.db2.gz YRNXMLPAARLHOT-BKUYFWCQSA-N 0 0 342.398 4.655 50 10 EJCARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000004648590 563506545 /nfs/dbraw/zinc/50/65/45/563506545.db2.gz CWQLLVZBAFJREH-DLRWLJPMSA-N 0 0 344.480 4.512 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1c(C)cccc1C ZINC000004358363 563668046 /nfs/dbraw/zinc/66/80/46/563668046.db2.gz JHYAETCGIXUEJP-GZTJUZNOSA-N 0 0 339.826 4.675 50 10 EJCARN O[C@@H](c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 ZINC000012860308 563675985 /nfs/dbraw/zinc/67/59/85/563675985.db2.gz BGPRLLDYSIDLNQ-JSMIYBGHSA-N 0 0 346.386 4.955 50 10 EJCARN C[C@@H](NC(=O)c1ccccc1F)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000024613790 563873464 /nfs/dbraw/zinc/87/34/64/563873464.db2.gz RLQDKZIRNZXARX-JKSUJKDBSA-N 0 0 340.442 4.553 50 10 EJCARN CCOc1cccc(CNc2ccc(OCc3ccccc3)cc2)c1O ZINC000044836381 563926762 /nfs/dbraw/zinc/92/67/62/563926762.db2.gz RMJDUWQWZDCHBQ-UHFFFAOYSA-N 0 0 349.430 4.982 50 10 EJCARN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Br)cc1 ZINC000000088863 563976422 /nfs/dbraw/zinc/97/64/22/563976422.db2.gz CBFDWMNLQPPCNJ-UKTHLTGXSA-N 0 0 345.167 4.570 50 10 EJCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)c1ccco1 ZINC000000123754 563986848 /nfs/dbraw/zinc/98/68/48/563986848.db2.gz KUQOSPYLOUQZDY-OAQYLSRUSA-N 0 0 343.382 4.658 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1C ZINC000006131682 564014514 /nfs/dbraw/zinc/01/45/14/564014514.db2.gz GGOKQXIFBTUHMN-MHWRWJLKSA-N 0 0 343.448 4.848 50 10 EJCARN O=C1c2ccccc2-c2onc3ccc(NCCc4ccccc4)c1c32 ZINC000000507338 564019702 /nfs/dbraw/zinc/01/97/02/564019702.db2.gz DBYIDRXXQQRVJM-UHFFFAOYSA-N 0 0 340.382 4.694 50 10 EJCARN Cc1cc(C)n(Cc2ccccc2)c1/C=C1\C(=O)Nc2ccccc21 ZINC000221683445 564020394 /nfs/dbraw/zinc/02/03/94/564020394.db2.gz DYXKJCQHMMNJAV-UYRXBGFRSA-N 0 0 328.415 4.646 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000005738357 564024754 /nfs/dbraw/zinc/02/47/54/564024754.db2.gz FYRNGNXEXDIYMC-VBHSOAQHSA-N 0 0 340.354 4.569 50 10 EJCARN CCCCc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000044826955 564027176 /nfs/dbraw/zinc/02/71/76/564027176.db2.gz OPLDSOWNLKCZHB-HMMYKYKNSA-N 0 0 333.435 4.748 50 10 EJCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(C)c2O)N3)C1 ZINC000008197258 564034841 /nfs/dbraw/zinc/03/48/41/564034841.db2.gz SOPWVMWKNSTHJM-PIGZYNQJSA-N 0 0 342.464 4.706 50 10 EJCARN CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000001430288 564066954 /nfs/dbraw/zinc/06/69/54/564066954.db2.gz AUQVCALVNFDFDL-NRFANRHFSA-N 0 0 332.451 4.677 50 10 EJCARN CC(=C\c1ccco1)/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000006261737 564083386 /nfs/dbraw/zinc/08/33/86/564083386.db2.gz WMPAZRUDGIBDSC-WFVPKAAFSA-N 0 0 341.457 4.627 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)C1=NNc1cccc2ncccc21 ZINC000242463660 564088522 /nfs/dbraw/zinc/08/85/22/564088522.db2.gz DGSKDFSSIUFQHU-UHFFFAOYSA-N 0 0 329.363 4.850 50 10 EJCARN CCCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000005502028 564093281 /nfs/dbraw/zinc/09/32/81/564093281.db2.gz RKGPSNLBCTZAQM-DTQAZKPQSA-N 0 0 348.537 4.534 50 10 EJCARN CCOc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000014165836 564112257 /nfs/dbraw/zinc/11/22/57/564112257.db2.gz MMFVALGIYAVNPU-GJYPPUQNSA-N 0 0 336.391 4.820 50 10 EJCARN CC1=NC(=O)[C@@H](N=Nc2cccc3ccccc32)N1c1ccccc1 ZINC000252613963 564122004 /nfs/dbraw/zinc/12/20/04/564122004.db2.gz JFSMOWBFBCORIR-IBGZPJMESA-N 0 0 328.375 4.715 50 10 EJCARN Nc1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000252639821 564124621 /nfs/dbraw/zinc/12/46/21/564124621.db2.gz YNYVOXXIXHFGKT-UHFFFAOYSA-N 0 0 325.353 4.716 50 10 EJCARN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000013098677 564135978 /nfs/dbraw/zinc/13/59/78/564135978.db2.gz WWONKYQKEOCDCL-MOSHPQCFSA-N 0 0 328.415 4.895 50 10 EJCARN Cc1ccc(C2=N[C@@H](c3cccs3)N[C@H](c3ccccc3O)C2)cc1 ZINC000058083273 564157485 /nfs/dbraw/zinc/15/74/85/564157485.db2.gz BYGXIKGRRXZLGV-GHTZIAJQSA-N 0 0 348.471 4.985 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004008061 210098531 /nfs/dbraw/zinc/09/85/31/210098531.db2.gz ZNUJLLXTCNTMOF-HLIPFELVSA-N 0 0 337.394 4.829 50 10 EJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(O)c1 ZINC000102436130 219202479 /nfs/dbraw/zinc/20/24/79/219202479.db2.gz LYWUMTVKAAPYJT-RIYZIHGNSA-N 0 0 347.201 4.505 50 10 EJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccsc1 ZINC000102907257 219240392 /nfs/dbraw/zinc/24/03/92/219240392.db2.gz DMZGLMPCGZCRAS-FXAWDEMLSA-N 0 0 348.427 4.696 50 10 EJCARN CCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002379271 209845929 /nfs/dbraw/zinc/84/59/29/209845929.db2.gz 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C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019791533 212067898 /nfs/dbraw/zinc/06/78/98/212067898.db2.gz ZTCLWGZTANQKDF-HNNXBMFYSA-N 0 0 349.430 4.540 50 10 biogenic EJCARN CC[C@H](C)c1ccccc1O[C@@H](CC)C(=O)Nc1ccc(N)cc1 ZINC000019736814 212059137 /nfs/dbraw/zinc/05/91/37/212059137.db2.gz HWIUHMFWKMYUMJ-KSSFIOAISA-N 0 0 326.440 4.578 50 10 EJCARN CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN23)cc1 ZINC000019324632 212017170 /nfs/dbraw/zinc/01/71/70/212017170.db2.gz NEVIELUTPGBCJW-XZOQPEGZSA-N 0 0 349.522 4.512 50 10 EJCARN Oc1ccccc1[C@@H]1CC(c2ccccc2)=N[C@@H](c2ccccc2)N1 ZINC000080325007 217298334 /nfs/dbraw/zinc/29/83/34/217298334.db2.gz QLLGQVLIHCCTLM-RBBKRZOGSA-N 0 0 328.415 4.615 50 10 EJCARN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)C1CCC1 ZINC000010910098 211194808 /nfs/dbraw/zinc/19/48/08/211194808.db2.gz FSZWTJSEEITMEW-OAQYLSRUSA-N 0 0 331.415 4.551 50 10 EJCARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(C)c2O)N3)C1 ZINC000008198723 210911839 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O=C1c2ccccc2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000001083671 563374256 /nfs/dbraw/zinc/37/42/56/563374256.db2.gz UBEKWBZJHSHKCG-LIKPIUCQSA-N 0 0 336.390 4.589 50 10 EJCARN Cc1cccc(C)c1N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001136366 563375902 /nfs/dbraw/zinc/37/59/02/563375902.db2.gz VURUIIHUDDJFAY-LCYFTJDESA-N 0 0 331.487 4.771 50 10 EJCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 ZINC000001187951 563378106 /nfs/dbraw/zinc/37/81/06/563378106.db2.gz HYPDCRMWQZTXFP-ZROIWOOFSA-N 0 0 349.839 4.885 50 10 EJCARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 ZINC000001187950 563378177 /nfs/dbraw/zinc/37/81/77/563378177.db2.gz HYPDCRMWQZTXFP-NTEUORMPSA-N 0 0 349.839 4.885 50 10 EJCARN Cc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000001190105 563378360 /nfs/dbraw/zinc/37/83/60/563378360.db2.gz LMTUGXPFPQSTMJ-RFRKOGIWSA-N 0 0 339.485 4.957 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1C ZINC000001216259 563379671 /nfs/dbraw/zinc/37/96/71/563379671.db2.gz DEPUNDJOHCKUOR-WJDWOHSUSA-N 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563522477 /nfs/dbraw/zinc/52/24/77/563522477.db2.gz OWUAUZZSAFVACY-XNTDXEJSSA-N 0 0 329.421 4.540 50 10 EJCARN CC(C)CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000005497838 563535340 /nfs/dbraw/zinc/53/53/40/563535340.db2.gz WCAGDHMBDJUAQB-WUXMJOGZSA-N 0 0 346.304 4.851 50 10 EJCARN CC(C)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S ZINC000002697654 563602414 /nfs/dbraw/zinc/60/24/14/563602414.db2.gz LMRCGCGMPPDKBX-POHAHGRESA-N 0 0 332.277 4.603 50 10 EJCARN CC1=CC(=NNc2ccc(Cl)cc2)C=C(CN2CCOCC2)C1=O ZINC000013119254 563688392 /nfs/dbraw/zinc/68/83/92/563688392.db2.gz NUQHIMKPLURKFY-QZQOTICOSA-N 0 0 345.830 4.602 50 10 EJCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1 ZINC000013121716 563688991 /nfs/dbraw/zinc/68/89/91/563688991.db2.gz PEJRHVZLNICCEL-OAQYLSRUSA-N 0 0 344.414 4.757 50 10 EJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000015134522 563778702 /nfs/dbraw/zinc/77/87/02/563778702.db2.gz MCXGEOLQSUATLH-YBEGLDIGSA-N 0 0 346.217 4.712 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1C ZINC000027533621 563896374 /nfs/dbraw/zinc/89/63/74/563896374.db2.gz ZOOKFWNTZOPYMC-LVVPDBGKSA-N 0 0 341.457 4.858 50 10 EJCARN Oc1ccc(Br)cc1CNc1cc(F)ccc1Cl ZINC000044836220 563926711 /nfs/dbraw/zinc/92/67/11/563926711.db2.gz DLPINVJCAQOVJO-UHFFFAOYSA-N 0 0 330.584 4.559 50 10 EJCARN Brc1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000004623302 563935208 /nfs/dbraw/zinc/93/52/08/563935208.db2.gz IFRQHBFWQRFPTC-XJKCOSOUSA-N 0 0 327.225 4.671 50 10 EJCARN COc1ccc(OC)c(-c2csc(-c3ccc(N(C)C)cc3)n2)c1 ZINC000008042124 563973493 /nfs/dbraw/zinc/97/34/93/563973493.db2.gz COWRIORSHZADJP-UHFFFAOYSA-N 0 0 340.448 4.560 50 10 EJCARN Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000000090263 563976515 /nfs/dbraw/zinc/97/65/15/563976515.db2.gz FBNHHAHGTWTLHG-UHFFFAOYSA-N 0 0 344.886 4.662 50 10 EJCARN CCCCCCN1C(=O)C(=CNc2cc(C)cc(C)c2)SC1=S ZINC000005021807 563993824 /nfs/dbraw/zinc/99/38/24/563993824.db2.gz VVTYCMAMQFIXPQ-FOWTUZBSSA-N 0 0 348.537 4.997 50 10 EJCARN Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000005375815 564003239 /nfs/dbraw/zinc/00/32/39/564003239.db2.gz DIJLMMDDURYRSU-LHDCHRESSA-N 0 0 327.430 4.550 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 ZINC000005544842 564005216 /nfs/dbraw/zinc/00/52/16/564005216.db2.gz DYOPKXFYNCISOF-NTEUORMPSA-N 0 0 331.487 4.771 50 10 EJCARN CC(C)c1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000003005673 564013515 /nfs/dbraw/zinc/01/35/15/564013515.db2.gz MJCGZLIJPBKCEK-UYRXBGFRSA-N 0 0 333.431 4.857 50 10 EJCARN O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 ZINC000018081380 564017907 /nfs/dbraw/zinc/01/79/07/564017907.db2.gz JGHSIHWEEQODNJ-FMQUCBEESA-N 0 0 337.404 4.903 50 10 EJCARN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000101724493 564019520 /nfs/dbraw/zinc/01/95/20/564019520.db2.gz UDKWLTZDRZXAMI-NKJMRRHMSA-N 0 0 347.201 4.949 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000102570109 564020344 /nfs/dbraw/zinc/02/03/44/564020344.db2.gz 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/nfs/dbraw/zinc/07/48/93/564074893.db2.gz FWJDZWZHOLTFIH-GDNBJRDFSA-N 0 0 329.421 4.540 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 ZINC000245232601 564088623 /nfs/dbraw/zinc/08/86/23/564088623.db2.gz YOIYDNCFRCFMAZ-PSFFPDNBSA-N 0 0 340.423 4.804 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 ZINC000245232600 564088630 /nfs/dbraw/zinc/08/86/30/564088630.db2.gz YOIYDNCFRCFMAZ-JNNRSPCRSA-N 0 0 340.423 4.804 50 10 EJCARN CCc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000006901868 564101113 /nfs/dbraw/zinc/10/11/13/564101113.db2.gz YMJMMCURAJXZIH-UHFFFAOYSA-N 0 0 341.410 4.636 50 10 EJCARN Cc1cnn(CC(=O)Nc2ccc(C)cc2N=Nc2ccc(C)cc2)c1 ZINC000588059890 564108471 /nfs/dbraw/zinc/10/84/71/564108471.db2.gz CUZXKMYAESUUPP-UHFFFAOYSA-N 0 0 347.422 4.862 50 10 EJCARN Cc1ccc(C2=N[C@H](c3cccs3)N[C@H](c3ccccc3O)C2)cc1 ZINC000058083268 564157477 /nfs/dbraw/zinc/15/74/77/564157477.db2.gz BYGXIKGRRXZLGV-RXVVDRJESA-N 0 0 348.471 4.985 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/nfs/dbraw/zinc/23/53/61/563235361.db2.gz UHPPTGUPKCCNTR-UHFFFAOYSA-N 0 0 349.430 4.542 50 10 EJCARN Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000000246724 563266152 /nfs/dbraw/zinc/26/61/52/563266152.db2.gz UFDARRZTRWZSHA-UHFFFAOYSA-N 0 0 346.253 4.898 50 10 EJCARN Cc1ccc(C)c(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)c1 ZINC000000313630 563281679 /nfs/dbraw/zinc/28/16/79/563281679.db2.gz LKGGHXDYNWUXTQ-SXGWCWSVSA-N 0 0 335.359 4.501 50 10 EJCARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000003024692 563469788 /nfs/dbraw/zinc/46/97/88/563469788.db2.gz YLPRCWUZSROOFV-NTEUORMPSA-N 0 0 349.839 4.885 50 10 EJCARN CC(C)CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000005497850 563535322 /nfs/dbraw/zinc/53/53/22/563535322.db2.gz JSSKJUREWFARJK-XNTDXEJSSA-N 0 0 333.522 4.841 50 10 EJCARN Cc1ccc(C)c(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000006901854 563591423 /nfs/dbraw/zinc/59/14/23/563591423.db2.gz ICYINUXJXIOOKF-UHFFFAOYSA-N 0 0 341.410 4.690 50 10 EJCARN 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Cc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1C ZINC000006901866 564101125 /nfs/dbraw/zinc/10/11/25/564101125.db2.gz GQSRTJYVNXRUTJ-UHFFFAOYSA-N 0 0 341.410 4.690 50 10 EJCARN CC(C)n1cnc2cc(NCc3ccc(Br)cc3)ccc21 ZINC000002464943 564118231 /nfs/dbraw/zinc/11/82/31/564118231.db2.gz IMGXUTQGBNBBIE-UHFFFAOYSA-N 0 0 344.256 4.992 50 10 EJCARN CC1(C)Nc2ccccc2-c2c1ssc2=Nc1ccc(N)cc1 ZINC000252627138 564123396 /nfs/dbraw/zinc/12/33/96/564123396.db2.gz RNJUJDXKOWMBST-UHFFFAOYSA-N 0 0 339.489 4.952 50 10 EJCARN Oc1ccccc1[C@H]1CC(c2ccccc2)=N[C@@H](c2ccccc2)N1 ZINC000080325015 564139265 /nfs/dbraw/zinc/13/92/65/564139265.db2.gz QLLGQVLIHCCTLM-IFMALSPDSA-N 0 0 328.415 4.615 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C)cc1C ZINC000095471478 564141227 /nfs/dbraw/zinc/14/12/27/564141227.db2.gz FNZUEATYRLTDSE-UNOMPAQXSA-N 0 0 333.435 4.639 50 10 EJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc2ccccc21 ZINC000095481264 564141556 /nfs/dbraw/zinc/14/15/56/564141556.db2.gz JTECCSQYZCZRAR-ZHZULCJRSA-N 0 0 341.414 4.867 50 10 EJCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(C)c2O)N3)C1 ZINC000008197244 564163507 /nfs/dbraw/zinc/16/35/07/564163507.db2.gz SOPWVMWKNSTHJM-DIFFPNOSSA-N 0 0 342.464 4.706 50 10 EJCARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C)ccc2O)N3)C1 ZINC000004545419 210218877 /nfs/dbraw/zinc/21/88/77/210218877.db2.gz BNGLTGSVLDPXTP-GTNSWQLSSA-N 0 0 342.464 4.706 50 10 EJCARN CCN1C(C)=C(C)S/C1=C1\SC(=S)N(c2ccccc2)C1=O ZINC000100087501 219090891 /nfs/dbraw/zinc/09/08/91/219090891.db2.gz LXOLKJFKGOPOOG-SQFISAMPSA-N 0 0 348.518 4.541 50 10 EJCARN COc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000004151342 210131931 /nfs/dbraw/zinc/13/19/31/210131931.db2.gz HJXWWKUHXNZTSM-GJYPPUQNSA-N 0 0 336.391 4.738 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151349 210131826 /nfs/dbraw/zinc/13/18/26/210131826.db2.gz XXPNVELGKOEDDE-WFXMLNOXSA-N 0 0 333.431 4.917 50 10 EJCARN CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000102036867 219181752 /nfs/dbraw/zinc/18/17/52/219181752.db2.gz MDUXOWOLCWKARO-OQLLNIDSSA-N 0 0 345.229 4.795 50 10 EJCARN CCN(CC)c1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1 ZINC000066335588 215034489 /nfs/dbraw/zinc/03/44/89/215034489.db2.gz IMULHVTVIPCJHM-NTCAYCPXSA-N 0 0 325.433 4.576 50 10 EJCARN CCCCOc1ccc(/C=C2\SC(=S)N(CCCC)C2=O)cc1 ZINC000002678034 209891001 /nfs/dbraw/zinc/89/10/01/209891001.db2.gz JZRQLXOLPLCIRJ-SSZFMOIBSA-N 0 0 349.521 4.867 50 10 EJCARN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)s2)SC1=S ZINC000040059709 213257002 /nfs/dbraw/zinc/25/70/02/213257002.db2.gz PSGMZEPNYXXEER-ZROIWOOFSA-N 0 0 349.477 4.775 50 10 EJCARN COc1ccccc1/C=C1/C=C(c2ccc3ccccc3c2)OC1=O ZINC000022033488 202077832 /nfs/dbraw/zinc/07/78/32/202077832.db2.gz STIMLJGYXZXCKM-UYRXBGFRSA-N 0 0 328.367 4.830 50 10 EJCARN CCc1ccccc1NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000032287075 212795333 /nfs/dbraw/zinc/79/53/33/212795333.db2.gz LHNMBTSVCUNGSU-UYRXBGFRSA-N 0 0 333.435 4.584 50 10 EJCARN CC1CCN(C2=NC(=O)/C(=C/c3cccc4ccccc34)S2)CC1 ZINC000000063959 209396929 /nfs/dbraw/zinc/39/69/29/209396929.db2.gz FFJRJYATOYRIKE-AQTBWJFISA-N 0 0 336.460 4.542 50 10 EJCARN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)cc1Cl ZINC000001063105 201497446 /nfs/dbraw/zinc/49/74/46/201497446.db2.gz MSSKPFLEWKFPNB-RIYZIHGNSA-N 0 0 349.864 4.739 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001189324 201499876 /nfs/dbraw/zinc/49/98/76/201499876.db2.gz ZSAIEANMWVDUGX-HKLRHMNMSA-N 0 0 331.487 4.711 50 10 EJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccs3)c(O)c2n1 ZINC000021486988 212226373 /nfs/dbraw/zinc/22/63/73/212226373.db2.gz ZHKMFXSAMQTNMX-IBGZPJMESA-N 0 0 347.443 4.907 50 10 EJCARN Cc1ccc([C@@H]2N=C(c3cccs3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000020763473 212170335 /nfs/dbraw/zinc/17/03/35/212170335.db2.gz NXLZTOCRLNJHMO-UWJYYQICSA-N 0 0 348.471 4.985 50 10 EJCARN Cc1ccc([C@H]2N=C(c3cccs3)C[C@H](c3ccccc3O)N2)cc1 ZINC000020763460 212169216 /nfs/dbraw/zinc/16/92/16/212169216.db2.gz NXLZTOCRLNJHMO-DYESRHJHSA-N 0 0 348.471 4.985 50 10 EJCARN CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000254567193 244043618 /nfs/dbraw/zinc/04/36/18/244043618.db2.gz MZKPZDRFDHZNND-UHFFFAOYSA-N 0 0 343.343 4.765 50 10 EJCARN Cc1cc2n(n1)[C@H](c1ccc(N3CCCC3)cc1)Nc1c(C)cccc1-2 ZINC000020060271 212098985 /nfs/dbraw/zinc/09/89/85/212098985.db2.gz PZCLTSRLGIFUSA-JOCHJYFZSA-N 0 0 344.462 4.740 50 10 EJCARN C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019791532 212067417 /nfs/dbraw/zinc/06/74/17/212067417.db2.gz ZTCLWGZTANQKDF-OAHLLOKOSA-N 0 0 349.430 4.540 50 10 biogenic EJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000100540758 203994721 /nfs/dbraw/zinc/99/47/21/203994721.db2.gz PZYNRJJTMRGYRV-NTEUORMPSA-N 0 0 331.202 4.800 50 10 EJCARN C[C@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000107041765 204223301 /nfs/dbraw/zinc/22/33/01/204223301.db2.gz GJNJGGJALHPLCG-SJORKVTESA-N 0 0 337.467 4.806 50 10 EJCARN CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@H]3CCCCN32)cc1 ZINC000019319080 212015815 /nfs/dbraw/zinc/01/58/15/212015815.db2.gz NEVIELUTPGBCJW-DHIUTWEWSA-N 0 0 349.522 4.512 50 10 EJCARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000015018385 211789708 /nfs/dbraw/zinc/78/97/08/211789708.db2.gz IBSWQUAXVFGYBM-BKUYFWCQSA-N 0 0 326.399 4.954 50 10 EJCARN Cc1cc(C(=O)OCc2cccc(F)c2)c(C)n1-c1ccc(F)cc1 ZINC000006831312 205822244 /nfs/dbraw/zinc/82/22/44/205822244.db2.gz DLFZMFMFYIGHDK-UHFFFAOYSA-N 0 0 341.357 4.729 50 10 EJCARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000001008396 206266440 /nfs/dbraw/zinc/26/64/40/206266440.db2.gz CWQLLVZBAFJREH-CPZHOGDASA-N 0 0 344.480 4.512 50 10 EJCARN CCCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000013060544 211518789 /nfs/dbraw/zinc/51/87/89/211518789.db2.gz NDSBDFNYNAKJOB-XDJHFCHBSA-N 0 0 334.419 4.672 50 10 EJCARN Cc1ccc(C)n1-c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005931064 210560629 /nfs/dbraw/zinc/56/06/29/210560629.db2.gz BQEVKSZUTALHCR-UHFFFAOYSA-N 0 0 348.490 4.793 50 10 EJCARN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cccc(Cl)c1 ZINC000005170500 210406308 /nfs/dbraw/zinc/40/63/08/210406308.db2.gz NCHZRCOWLPMUQN-RIYZIHGNSA-N 0 0 349.839 4.885 50 10 EJCARN O=C1c2ccccc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000004947813 210336664 /nfs/dbraw/zinc/33/66/64/210336664.db2.gz IXCGZVUOUXKHFD-QURGRASLSA-N 0 0 327.343 4.903 50 10 EJCARN Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccccc1 ZINC000004842349 210296033 /nfs/dbraw/zinc/29/60/33/210296033.db2.gz JCZHIEQXDWYEEL-NRFANRHFSA-N 0 0 327.387 4.537 50 10 EJCARN COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000000076126 563216858 /nfs/dbraw/zinc/21/68/58/563216858.db2.gz PFQLKUOLASFGDB-VWKPWSFCSA-N 0 0 349.430 4.733 50 10 EJCARN CC1=C(C(=O)OCC(C)C)Sc2ccc(C(F)(F)F)cc2N1 ZINC000000085068 563220062 /nfs/dbraw/zinc/22/00/62/563220062.db2.gz UCMSFGSFHPCQCU-UHFFFAOYSA-N 0 0 331.359 4.654 50 10 EJCARN Cc1ccc([C@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000092393 563223133 /nfs/dbraw/zinc/22/31/33/563223133.db2.gz AFVWPXYESDXYSF-FQEVSTJZSA-N 0 0 348.446 4.501 50 10 EJCARN Cc1ccc([C@@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000092397 563223173 /nfs/dbraw/zinc/22/31/73/563223173.db2.gz AFVWPXYESDXYSF-HXUWFJFHSA-N 0 0 348.446 4.501 50 10 EJCARN Oc1ccc(Cl)cc1CNc1nc2c(s1)CCc1ccccc1-2 ZINC000000200975 563258720 /nfs/dbraw/zinc/25/87/20/563258720.db2.gz KPZFSJHBZXGBAJ-UHFFFAOYSA-N 0 0 342.851 4.880 50 10 EJCARN CC(C)CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000379084 563299390 /nfs/dbraw/zinc/29/93/90/563299390.db2.gz UOLRIUAWKGHNQT-QFIPXVFZSA-N 0 0 333.431 4.797 50 10 EJCARN O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccccc1 ZINC000000860176 563365541 /nfs/dbraw/zinc/36/55/41/563365541.db2.gz XLIONEFSWFXXKA-UHFFFAOYSA-N 0 0 332.428 4.727 50 10 EJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001086540 563374238 /nfs/dbraw/zinc/37/42/38/563374238.db2.gz HQVQKKXNCMMATE-UVTDQMKNSA-N 0 0 331.849 4.746 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)c1 ZINC000001159477 563376306 /nfs/dbraw/zinc/37/63/06/563376306.db2.gz UPDVACNJAMTZDX-WJDWOHSUSA-N 0 0 325.458 4.709 50 10 EJCARN CCc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000001149895 563376318 /nfs/dbraw/zinc/37/63/18/563376318.db2.gz YBEWANFVHUNJOA-FOWTUZBSSA-N 0 0 331.506 4.783 50 10 EJCARN Cc1ccc(CN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1 ZINC000001164513 563376728 /nfs/dbraw/zinc/37/67/28/563376728.db2.gz KVXNSYHNCCGHAQ-HNDQUVLASA-N 0 0 329.490 4.596 50 10 EJCARN O=C1c2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)cc21 ZINC000001382389 563384637 /nfs/dbraw/zinc/38/46/37/563384637.db2.gz AUBQGSHOHZWWBW-UHFFFAOYSA-N 0 0 327.170 4.662 50 10 EJCARN CN(C)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000002279429 563428356 /nfs/dbraw/zinc/42/83/56/563428356.db2.gz CKSAJMWUTDNXJE-UHFFFAOYSA-N 0 0 343.474 4.778 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000004132348 563495808 /nfs/dbraw/zinc/49/58/08/563495808.db2.gz SMPRUDMZVSHSEE-RLFYNMQTSA-N 0 0 340.354 4.569 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 ZINC000004151422 563495951 /nfs/dbraw/zinc/49/59/51/563495951.db2.gz ZSNZIOLOVSOIRF-FRQCXROJSA-N 0 0 336.391 4.738 50 10 EJCARN CC(=C\c1ccco1)/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000004819481 563512088 /nfs/dbraw/zinc/51/20/88/563512088.db2.gz DIVLZNQDVHPWKW-NZWDAJRTSA-N 0 0 327.430 4.632 50 10 EJCARN Cc1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)s1 ZINC000005176004 563522174 /nfs/dbraw/zinc/52/21/74/563522174.db2.gz DWKGBRVARJZRTL-JYRVWZFOSA-N 0 0 334.853 4.792 50 10 EJCARN CCc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000013547615 563701119 /nfs/dbraw/zinc/70/11/19/563701119.db2.gz FMZYQXPXAITQQG-ATVHPVEESA-N 0 0 339.485 4.963 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000016291520 563807813 /nfs/dbraw/zinc/80/78/13/563807813.db2.gz GKYPQHQMYIKMBA-DHDCSXOGSA-N 0 0 329.421 4.540 50 10 EJCARN CC[C@@H](Nc1nc(C)nc2sc3c(c21)CCC3)c1ccccc1O ZINC000072281439 563904299 /nfs/dbraw/zinc/90/42/99/563904299.db2.gz LVELUDDXJAGQJI-CQSZACIVSA-N 0 0 339.464 4.757 50 10 EJCARN Clc1ccc(N2CCN(C3=Cc4ccccc4C3)CC2)cc1Cl ZINC000063567713 563955590 /nfs/dbraw/zinc/95/55/90/563955590.db2.gz FQIWPYONXVKPHQ-UHFFFAOYSA-N 0 0 345.273 4.713 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000100148146 563982374 /nfs/dbraw/zinc/98/23/74/563982374.db2.gz LSGQVNFWKVJAEX-CPNJWEJPSA-N 0 0 346.361 4.892 50 10 EJCARN O=C1c2ccccc2C(=O)C1(c1ccccc1)c1ccc2ccccc2n1 ZINC000005395048 564003533 /nfs/dbraw/zinc/00/35/33/564003533.db2.gz XMHNXRIDWQGUKO-UHFFFAOYSA-N 0 0 349.389 4.600 50 10 EJCARN CCOc1ccccc1N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005544858 564005192 /nfs/dbraw/zinc/00/51/92/564005192.db2.gz FHQSITBMACUAPI-GXDHUFHOSA-N 0 0 347.486 4.553 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000005559602 564005385 /nfs/dbraw/zinc/00/53/85/564005385.db2.gz WJJCSXBETIQVAP-IEMQHYRPSA-N 0 0 343.448 4.788 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000169682615 564017182 /nfs/dbraw/zinc/01/71/82/564017182.db2.gz ZNUJLLXTCNTMOF-MBOZVWFJSA-N 0 0 337.394 4.829 50 10 EJCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000110187965 564017439 /nfs/dbraw/zinc/01/74/39/564017439.db2.gz NMEOYUMQVSXLOI-NBVRZTHBSA-N 0 0 336.460 4.995 50 10 EJCARN CC(C)(C)OC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000000495776 564017970 /nfs/dbraw/zinc/01/79/70/564017970.db2.gz IYKBXPBDAZGHQJ-UHFFFAOYSA-N 0 0 332.450 4.562 50 10 EJCARN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000001173930 564056215 /nfs/dbraw/zinc/05/62/15/564056215.db2.gz YZDBUPRQFHMBHK-ZROIWOOFSA-N 0 0 349.864 4.821 50 10 EJCARN CCN(CC)c1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000006350152 564085259 /nfs/dbraw/zinc/08/52/59/564085259.db2.gz GVUARRFWTUYWAO-JOCHJYFZSA-N 0 0 346.478 4.986 50 10 EJCARN Cc1cc(C(=O)C(=O)Nc2cccc(C)c2C)c(C)n1-c1ccccc1 ZINC000006780872 564097606 /nfs/dbraw/zinc/09/76/06/564097606.db2.gz AWNDKURRLCGDHL-UHFFFAOYSA-N 0 0 346.430 4.532 50 10 EJCARN Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1-c1ccccc1C ZINC000170641293 564117935 /nfs/dbraw/zinc/11/79/35/564117935.db2.gz WQHQCJNBTGIKGR-UHFFFAOYSA-N 0 0 346.459 4.983 50 10 EJCARN Oc1ccccc1[C@@H]1CC(c2ccccc2)=N[C@H](c2ccccc2)N1 ZINC000080325004 564139255 /nfs/dbraw/zinc/13/92/55/564139255.db2.gz QLLGQVLIHCCTLM-UNMCSNQZSA-N 0 0 328.415 4.615 50 10 EJCARN O=C(/C=C\c1cnccn1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254519822 564146394 /nfs/dbraw/zinc/14/63/94/564146394.db2.gz LFMLBQCLNUQYLS-QWVNUFRKSA-N 0 0 329.363 4.544 50 10 EJCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C)ccc2O)N3)C1 ZINC000004545418 210219684 /nfs/dbraw/zinc/21/96/84/210219684.db2.gz BNGLTGSVLDPXTP-DIFFPNOSSA-N 0 0 342.464 4.706 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000100037478 219089157 /nfs/dbraw/zinc/08/91/57/219089157.db2.gz FSDDLINBXYXAAG-OQLLNIDSSA-N 0 0 331.202 4.800 50 10 EJCARN COc1cc(C)c(/C=C2/C(C)=NN(c3ccccc3)C2=O)cc1C(C)C ZINC000004525899 210214225 /nfs/dbraw/zinc/21/42/25/210214225.db2.gz LOZUNRCXGSZLAY-MOSHPQCFSA-N 0 0 348.446 4.933 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000100147653 219092682 /nfs/dbraw/zinc/09/26/82/219092682.db2.gz DSAWPPZRBMIZID-JLHYYAGUSA-N 0 0 331.202 4.800 50 10 EJCARN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccccc1F ZINC000004426180 210190205 /nfs/dbraw/zinc/19/02/05/210190205.db2.gz YMWCMEARQFKKKI-ZROIWOOFSA-N 0 0 332.787 4.562 50 10 EJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1c(C)cccc1C ZINC000004359681 210179769 /nfs/dbraw/zinc/17/97/69/210179769.db2.gz VRIBZQVGYHUJEB-BOPFTXTBSA-N 0 0 339.826 4.675 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 ZINC000004313634 210167386 /nfs/dbraw/zinc/16/73/86/210167386.db2.gz FYRNGNXEXDIYMC-JCGVRSQUSA-N 0 0 340.354 4.569 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 ZINC000004151429 210134244 /nfs/dbraw/zinc/13/42/44/210134244.db2.gz CXJRSYDLJFHJRW-BXWFABGCSA-N 0 0 336.391 4.738 50 10 EJCARN Cc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)s1 ZINC000004123996 210125903 /nfs/dbraw/zinc/12/59/03/210125903.db2.gz HFGMIGJDJWLJDQ-IBGZPJMESA-N 0 0 347.443 4.907 50 10 EJCARN Oc1ccc(C2=NN(c3ccccc3)[C@@H](C=C(Cl)Cl)C2)cc1 ZINC000004011886 210100504 /nfs/dbraw/zinc/10/05/04/210100504.db2.gz SBNNDXKQXGKDGE-CQSZACIVSA-N 0 0 333.218 4.694 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004008059 210098459 /nfs/dbraw/zinc/09/84/59/210098459.db2.gz ZNUJLLXTCNTMOF-UWVAXJGDSA-N 0 0 337.394 4.829 50 10 EJCARN Cc1ccc(N2C(=O)S[C@@H](Nc3cccc4ccccc43)C2=O)cc1 ZINC000003900826 210087795 /nfs/dbraw/zinc/08/77/95/210087795.db2.gz GINLKSVDZWSTOE-GOSISDBHSA-N 0 0 348.427 4.786 50 10 EJCARN CNc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000003880315 210083522 /nfs/dbraw/zinc/08/35/22/210083522.db2.gz ITYXXSSJBOAGAR-UHFFFAOYSA-N 0 0 342.398 4.556 50 10 EJCARN COc1cccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000001321734 209725287 /nfs/dbraw/zinc/72/52/87/209725287.db2.gz JYCVIMUIGZOVAH-UHFFFAOYSA-N 0 0 342.354 4.791 50 10 biogenic EJCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001288431 209722901 /nfs/dbraw/zinc/72/29/01/209722901.db2.gz RXQICXGQBKMHEG-WQLSENKSSA-N 0 0 337.878 4.807 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1C ZINC000001086561 209710551 /nfs/dbraw/zinc/71/05/51/209710551.db2.gz OHTIFVSCCWTYTC-YBEGLDIGSA-N 0 0 343.448 4.848 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000019893945 202025700 /nfs/dbraw/zinc/02/57/00/202025700.db2.gz SJCJJUIWZDKZQA-OPYAIIAOSA-N 0 0 333.431 4.917 50 10 EJCARN COc1cc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)ccc1O ZINC000022034079 202077754 /nfs/dbraw/zinc/07/77/54/202077754.db2.gz UVZSDXXXKASGNY-ZDLGFXPLSA-N 0 0 344.366 4.535 50 10 EJCARN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000072117351 216012587 /nfs/dbraw/zinc/01/25/87/216012587.db2.gz GJNJGGJALHPLCG-IAGOWNOFSA-N 0 0 337.467 4.806 50 10 EJCARN COc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1O ZINC000000397854 209569196 /nfs/dbraw/zinc/56/91/96/209569196.db2.gz FIUCHDPDPJYICG-UHFFFAOYSA-N 0 0 332.614 4.973 50 10 EJCARN COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1 ZINC000000233939 209497484 /nfs/dbraw/zinc/49/74/84/209497484.db2.gz PTYAJMSVGMUCFR-UHFFFAOYSA-N 0 0 343.430 4.955 50 10 EJCARN Cc1ccc(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1 ZINC000000066720 209398356 /nfs/dbraw/zinc/39/83/56/209398356.db2.gz CIWOSHOAHHIHRM-SXGWCWSVSA-N 0 0 335.359 4.501 50 10 EJCARN O=C1c2ccccc2C(=O)c2cc(NN=Nc3ccccc3)ccc21 ZINC000027586767 212567999 /nfs/dbraw/zinc/56/79/99/212567999.db2.gz KRPPUNFINXFLET-UHFFFAOYSA-N 0 0 327.343 4.573 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1C ZINC000027533626 212561704 /nfs/dbraw/zinc/56/17/04/212561704.db2.gz JOCXAQHNGVXOLR-FWPHUCDGSA-N 0 0 341.457 4.858 50 10 EJCARN CC(C)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001181948 201500349 /nfs/dbraw/zinc/50/03/49/201500349.db2.gz XMLZYGLDSOSGTN-SDQBBNPISA-N 0 0 346.304 4.851 50 10 EJCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000001430289 201508739 /nfs/dbraw/zinc/50/87/39/201508739.db2.gz AUQVCALVNFDFDL-OAQYLSRUSA-N 0 0 332.451 4.677 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000001461956 201510652 /nfs/dbraw/zinc/51/06/52/201510652.db2.gz WBBTXVLXSCOTRE-MBOZVWFJSA-N 0 0 336.391 4.820 50 10 EJCARN O=C1NC(=S)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1 ZINC000002422777 201532470 /nfs/dbraw/zinc/53/24/70/201532470.db2.gz MKQQGLKYMSNYAN-GHXNOFRVSA-N 0 0 344.442 4.681 50 10 EJCARN Cc1ccc(N2C(=O)S[C@H](Nc3cccc4ccccc43)C2=O)cc1 ZINC000003900827 201583923 /nfs/dbraw/zinc/58/39/23/201583923.db2.gz GINLKSVDZWSTOE-SFHVURJKSA-N 0 0 348.427 4.786 50 10 EJCARN O=C1N=C(Nc2cccc(Cl)c2)SC1=CC=Cc1ccco1 ZINC000004745943 201617000 /nfs/dbraw/zinc/61/70/00/201617000.db2.gz OEYCJZPQLSTHJG-BOAPOFAJSA-N 0 0 330.796 4.572 50 10 EJCARN CC(C)CNc1cc(NC(C)C)c2c3c1noc3-c1ccccc1C2=O ZINC000020322291 212119933 /nfs/dbraw/zinc/11/99/33/212119933.db2.gz LDODDRVHJXGFGD-UHFFFAOYSA-N 0 0 349.434 4.927 50 10 EJCARN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1 ZINC000019201847 212004639 /nfs/dbraw/zinc/00/46/39/212004639.db2.gz NHAXYTWIOUIZSC-MHWRWJLKSA-N 0 0 336.441 4.574 50 10 EJCARN Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000012958366 211493318 /nfs/dbraw/zinc/49/33/18/211493318.db2.gz AWUIRYGRUKHSCI-DVOMOZLQSA-N 0 0 345.215 4.810 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000012437357 211381791 /nfs/dbraw/zinc/38/17/91/211381791.db2.gz YRBUCQGNSYBNOS-JYRVWZFOSA-N 0 0 335.837 4.647 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000012412754 211371216 /nfs/dbraw/zinc/37/12/16/211371216.db2.gz FSDDLINBXYXAAG-DHDCSXOGSA-N 0 0 331.202 4.800 50 10 EJCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000012380188 211362235 /nfs/dbraw/zinc/36/22/35/211362235.db2.gz LBEMODQQJGACLE-SXGZJXTBSA-N 0 0 334.375 4.624 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000008656761 210978378 /nfs/dbraw/zinc/97/83/78/210978378.db2.gz DAGILFJIUGGZHI-UYRXBGFRSA-N 0 0 346.361 4.892 50 10 EJCARN Cn1c(-c2ccccc2)cnc1SCc1ccc(-n2cccn2)cc1 ZINC000008252382 210919728 /nfs/dbraw/zinc/91/97/28/210919728.db2.gz GRPPOISEZZZKRO-UHFFFAOYSA-N 0 0 346.459 4.565 50 10 EJCARN CCN(CC)c1cc(NC(C)C)c2c3c1noc3-c1ccccc1C2=O ZINC000006737939 210695282 /nfs/dbraw/zinc/69/52/82/210695282.db2.gz GOLXXLPXSGTBLF-UHFFFAOYSA-N 0 0 349.434 4.706 50 10 EJCARN CCCCOc1cccc(NC=C2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000006273810 210610648 /nfs/dbraw/zinc/61/06/48/210610648.db2.gz MHFMFVCIOVRWHG-HMMYKYKNSA-N 0 0 349.434 4.584 50 10 EJCARN CC(=Cc1ccccc1)C=C1SC(Nc2ccc(F)cc2)=NC1=O ZINC000005093183 210388635 /nfs/dbraw/zinc/38/86/35/210388635.db2.gz DIJXSWMUSVTELN-QKIOLIMFSA-N 0 0 338.407 4.854 50 10 EJCARN CCCCCN1C(=O)C(=CNc2cc(C)cc(C)c2)SC1=S ZINC000005021812 210365774 /nfs/dbraw/zinc/36/57/74/210365774.db2.gz OGWZQPWJTHWBTL-RVDMUPIBSA-N 0 0 334.510 4.607 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000004959540 210340369 /nfs/dbraw/zinc/34/03/69/210340369.db2.gz ILAAWHTXDIGTIR-UWVAXJGDSA-N 0 0 336.391 4.820 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000004959566 210340214 /nfs/dbraw/zinc/34/02/14/210340214.db2.gz BKTOQYXUAMNDDY-LQWHRVPQSA-N 0 0 349.430 4.698 50 10 EJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccco2)c1 ZINC000245174454 525339393 /nfs/dbraw/zinc/33/93/93/525339393.db2.gz YNCBLTREGCXWAF-UTKZUKDTSA-N 0 0 346.386 4.536 50 10 EJCARN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000230009145 535826773 /nfs/dbraw/zinc/82/67/73/535826773.db2.gz BVMYCMVGLYEYLR-LVCYWYKZSA-N 0 0 333.431 4.862 50 10 EJCARN CN(C)c1ccc(C=C(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC000000070421 563215131 /nfs/dbraw/zinc/21/51/31/563215131.db2.gz PRGWQQOPNOICFP-UHFFFAOYSA-N 0 0 329.447 4.506 50 10 EJCARN O=C1c2ccccc2-c2nnc(-c3ccc(Cl)cc3Cl)cc21 ZINC000000080229 563218262 /nfs/dbraw/zinc/21/82/62/563218262.db2.gz CNPVVBBRAGVVHD-UHFFFAOYSA-N 0 0 327.170 4.662 50 10 EJCARN CCN(C)c1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000000095619 563223826 /nfs/dbraw/zinc/22/38/26/563223826.db2.gz MSLQUOAOXNQDSD-KGENOOAVSA-N 0 0 347.462 4.566 50 10 EJCARN O=C1N=C(Nc2cc(Cl)cc(Cl)c2)SC1=Cc1ccco1 ZINC000000106698 563227851 /nfs/dbraw/zinc/22/78/51/563227851.db2.gz NPOHAIIHRBSNKO-GHXNOFRVSA-N 0 0 339.203 4.669 50 10 EJCARN CC(C)(C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000136806 563240723 /nfs/dbraw/zinc/24/07/23/563240723.db2.gz MVNNBWUETIDNRH-HXUWFJFHSA-N 0 0 333.431 4.797 50 10 EJCARN O=C1N=C(c2ccccc2)S/C1=C\c1cccc(Br)c1 ZINC000000247972 563266506 /nfs/dbraw/zinc/26/65/06/563266506.db2.gz QAYUBCKVONPFDQ-UVTDQMKNSA-N 0 0 344.233 4.510 50 10 EJCARN Oc1ccc(Br)cc1C1Nc2cccc3cccc(c32)N1 ZINC000000308282 563278731 /nfs/dbraw/zinc/27/87/31/563278731.db2.gz NFWQWYQALXTERU-UHFFFAOYSA-N 0 0 341.208 4.844 50 10 EJCARN Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccccc2)S1 ZINC000000446763 563317742 /nfs/dbraw/zinc/31/77/42/563317742.db2.gz GYVKMRAJUCWEIX-GDNBJRDFSA-N 0 0 328.824 4.731 50 10 EJCARN Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000000617049 563358767 /nfs/dbraw/zinc/35/87/67/563358767.db2.gz AWUIRYGRUKHSCI-WOSRLPQWSA-N 0 0 345.215 4.810 50 10 EJCARN C[C@H](Nc1ccccc1Br)c1cc(Cl)ccc1O ZINC000000617615 563359448 /nfs/dbraw/zinc/35/94/48/563359448.db2.gz NFDPAWMMBUPCFV-VIFPVBQESA-N 0 0 326.621 4.981 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)s1 ZINC000001130147 563375896 /nfs/dbraw/zinc/37/58/96/563375896.db2.gz CBWREDLJNVGFQW-DHDCSXOGSA-N 0 0 345.514 4.766 50 10 EJCARN Cc1ccsc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000001150656 563376357 /nfs/dbraw/zinc/37/63/57/563376357.db2.gz QHXSLJQGBIKPJG-ZROIWOOFSA-N 0 0 331.487 4.771 50 10 EJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001189327 563378415 /nfs/dbraw/zinc/37/84/15/563378415.db2.gz ZSAIEANMWVDUGX-UXEDPAHQSA-N 0 0 331.487 4.711 50 10 EJCARN Cc1ccccc1C1(Cc2ccccc2)C(=O)c2ccccc2C1=O ZINC000001203492 563379154 /nfs/dbraw/zinc/37/91/54/563379154.db2.gz ORLVYFFAYFHGLK-UHFFFAOYSA-N 0 0 326.395 4.555 50 10 EJCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000002678060 563445548 /nfs/dbraw/zinc/44/55/48/563445548.db2.gz DUZYZGMEQCQYBG-RERGGYADSA-N 0 0 349.521 4.810 50 10 EJCARN Cc1cccc([C@@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)c1O ZINC000004814047 563512065 /nfs/dbraw/zinc/51/20/65/563512065.db2.gz JLGFDZOLDBGVMJ-KRWDZBQOSA-N 0 0 336.416 4.858 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000006556866 563572389 /nfs/dbraw/zinc/57/23/89/563572389.db2.gz BQQFGJPENRUXHE-WQRHYEAKSA-N 0 0 339.826 4.675 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000015163126 563646381 /nfs/dbraw/zinc/64/63/81/563646381.db2.gz LFJQOXLALJZPEQ-MDZRGWNJSA-N 0 0 339.822 4.953 50 10 EJCARN O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc2ccccc2c1 ZINC000013228285 563692636 /nfs/dbraw/zinc/69/26/36/563692636.db2.gz VIZAMBMDTLKPIE-BOPFTXTBSA-N 0 0 348.452 4.641 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 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CCCn1c2ccccc2nc1N[C@@H](C)c1cc(Cl)ccc1O ZINC000000111465 563229896 /nfs/dbraw/zinc/22/98/96/563229896.db2.gz ONMZSGUEAUWIAY-LBPRGKRZSA-N 0 0 329.831 4.978 50 10 EJCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000000177918 563253457 /nfs/dbraw/zinc/25/34/57/563253457.db2.gz XGFMWJAYWCXIGY-FUHIMQAGSA-N 0 0 334.375 4.624 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000034772940 563270024 /nfs/dbraw/zinc/27/00/24/563270024.db2.gz SJCJJUIWZDKZQA-WFXMLNOXSA-N 0 0 333.431 4.917 50 10 EJCARN CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccc(O)cc21 ZINC000000309746 563279886 /nfs/dbraw/zinc/27/98/86/563279886.db2.gz CNHFRLJKABBPLG-QFIPXVFZSA-N 0 0 349.430 4.600 50 10 EJCARN CCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000000446473 563317396 /nfs/dbraw/zinc/31/73/96/563317396.db2.gz QXRCDQWIDPPQSL-HXUWFJFHSA-N 0 0 339.822 4.814 50 10 EJCARN Cc1ccc(NC2=NC(=O)C(=Cc3cccs3)S2)cc1Cl ZINC000000446783 563317761 /nfs/dbraw/zinc/31/77/61/563317761.db2.gz DJCSEJZLACMXCG-JYRVWZFOSA-N 0 0 334.853 4.792 50 10 EJCARN C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1O ZINC000000554538 563345140 /nfs/dbraw/zinc/34/51/40/563345140.db2.gz LTVJFIQTZKTLRS-VIFPVBQESA-N 0 0 326.621 4.981 50 10 EJCARN Cc1nc(N)sc1-c1csc(Nc2ccc(C)c(Cl)c2)n1 ZINC000000613596 563356468 /nfs/dbraw/zinc/35/64/68/563356468.db2.gz JPIFNFZPRZIKCA-UHFFFAOYSA-N 0 0 336.873 4.863 50 10 EJCARN CCN(CC)c1ccc(/C=C/c2ccn(C)c3cc(=O)ccc2-3)cc1 ZINC000001011231 563368411 /nfs/dbraw/zinc/36/84/11/563368411.db2.gz LQULVNKLRBLBIM-RMKNXTFCSA-N 0 0 332.447 4.507 50 10 EJCARN CCc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000001151645 563376307 /nfs/dbraw/zinc/37/63/07/563376307.db2.gz FXXOFECWHDFMSL-WJDWOHSUSA-N 0 0 343.448 4.794 50 10 EJCARN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 ZINC000001164204 563376762 /nfs/dbraw/zinc/37/67/62/563376762.db2.gz PSBDTLXWOHVKAE-YBEGLDIGSA-N 0 0 343.448 4.536 50 10 EJCARN Cc1ccsc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000001220108 563379860 /nfs/dbraw/zinc/37/98/60/563379860.db2.gz LSVOLEMLOWUGNC-RVDMUPIBSA-N 0 0 345.514 4.500 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1C ZINC000001788073 563412239 /nfs/dbraw/zinc/41/22/39/563412239.db2.gz PKBTXCMFEWVWCM-YBEGLDIGSA-N 0 0 343.448 4.848 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000004132354 563495812 /nfs/dbraw/zinc/49/58/12/563495812.db2.gz SMPRUDMZVSHSEE-HDMKZQKVSA-N 0 0 340.354 4.569 50 10 EJCARN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000254798535 563500387 /nfs/dbraw/zinc/50/03/87/563500387.db2.gz UZDCSGURJIPTEA-UHFFFAOYSA-N 0 0 338.279 4.777 50 10 EJCARN O=C1N=C(Nc2ccccc2O)SC1=Cc1cccc2ccccc12 ZINC000005777378 563549757 /nfs/dbraw/zinc/54/97/57/563549757.db2.gz AZSUAEYQHICQMW-PDGQHHTCSA-N 0 0 346.411 4.628 50 10 EJCARN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(F)cc1 ZINC000002506093 563576707 /nfs/dbraw/zinc/57/67/07/563576707.db2.gz JKVIFRVBRUDTHQ-NTEUORMPSA-N 0 0 349.839 4.885 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2 ZINC000014550176 563760543 /nfs/dbraw/zinc/76/05/43/563760543.db2.gz LKBRYPXSJXQDIM-OPYAIIAOSA-N 0 0 349.430 4.698 50 10 EJCARN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000016693353 563820696 /nfs/dbraw/zinc/82/06/96/563820696.db2.gz MDMHELIZVMWVFK-ATVHPVEESA-N 0 0 340.810 4.545 50 10 EJCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(Cl)c1 ZINC000027533664 563896345 /nfs/dbraw/zinc/89/63/45/563896345.db2.gz POOUANLEQAIUJI-BOAPOFAJSA-N 0 0 347.848 4.895 50 10 EJCARN Oc1ccc(Br)cc1CNc1cc(Cl)ccc1F ZINC000044836298 563926768 /nfs/dbraw/zinc/92/67/68/563926768.db2.gz YCQFOSMZKZHCRC-UHFFFAOYSA-N 0 0 330.584 4.559 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000013800855 563934910 /nfs/dbraw/zinc/93/49/10/563934910.db2.gz LSGQVNFWKVJAEX-UYRXBGFRSA-N 0 0 346.361 4.892 50 10 EJCARN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(C)c1 ZINC000000084087 563968306 /nfs/dbraw/zinc/96/83/06/563968306.db2.gz 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/nfs/dbraw/zinc/03/11/29/564031129.db2.gz OGAFWAAQFLEYBY-UHFFFAOYSA-N 0 0 342.439 4.567 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001190291 564056353 /nfs/dbraw/zinc/05/63/53/564056353.db2.gz LKNREEINIRIZAN-IEMQHYRPSA-N 0 0 343.448 4.788 50 10 EJCARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000005862490 564056701 /nfs/dbraw/zinc/05/67/01/564056701.db2.gz INGAQCMJEHLLOQ-KWWJGWKXSA-N 0 0 349.521 4.810 50 10 EJCARN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccc(F)cc1 ZINC000006060402 564073195 /nfs/dbraw/zinc/07/31/95/564073195.db2.gz DUMQGMKAAFARJF-HASPRUBHSA-N 0 0 341.432 4.788 50 10 EJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccsc1 ZINC000006721625 564096364 /nfs/dbraw/zinc/09/63/64/564096364.db2.gz DMZGLMPCGZCRAS-PXNSSMCTSA-N 0 0 348.427 4.696 50 10 EJCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccccc3)cc1)CCCC2 ZINC000006877851 564100402 /nfs/dbraw/zinc/10/04/02/564100402.db2.gz PAGCBEKKVWVBHB-UHFFFAOYSA-N 0 0 344.458 4.595 50 10 EJCARN O=C1c2ccccc2C(=O)C1(Nc1ccccc1Cl)c1ccccc1 ZINC000007000550 564102769 /nfs/dbraw/zinc/10/27/69/564102769.db2.gz RPFFAUYLCSXQBY-UHFFFAOYSA-N 0 0 347.801 4.727 50 10 EJCARN CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000002091715 564117528 /nfs/dbraw/zinc/11/75/28/564117528.db2.gz DIRDKZCTXYKEHM-FQEVSTJZSA-N 0 0 342.483 4.524 50 10 biogenic EJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000013395682 564136342 /nfs/dbraw/zinc/13/63/42/564136342.db2.gz AQWWJKBVOMLHII-YBEGLDIGSA-N 0 0 346.217 4.712 50 10 EJCARN CC1=C/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000004712222 210256689 /nfs/dbraw/zinc/25/66/89/210256689.db2.gz HGSIVUHBIUIOBW-FMIVXFBMSA-N 0 0 331.165 4.553 50 10 EJCARN CCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000004682067 210246407 /nfs/dbraw/zinc/24/64/07/210246407.db2.gz NDSBDFNYNAKJOB-CYVLTUHYSA-N 0 0 334.419 4.672 50 10 EJCARN O=C([O-])[C@@H](Nc1c2ccccc2[nH+]c2ccccc21)c1ccccc1 ZINC000004602001 210231084 /nfs/dbraw/zinc/23/10/84/210231084.db2.gz DSBZINUPUMCGNI-IBGZPJMESA-N 0 0 328.371 4.626 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000100148767 219092204 /nfs/dbraw/zinc/09/22/04/219092204.db2.gz AQWWJKBVOMLHII-MHWRWJLKSA-N 0 0 346.217 4.712 50 10 EJCARN O=C1/C(=C\c2cccs2)C(c2ccccc2)=NN1c1ccccc1 ZINC000004508845 210208977 /nfs/dbraw/zinc/20/89/77/210208977.db2.gz QAQBEZBMUHVXHQ-JXAWBTAJSA-N 0 0 330.412 4.583 50 10 EJCARN COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004371919 210182483 /nfs/dbraw/zinc/18/24/83/210182483.db2.gz OQMZDIRZHMKGTG-RLFYNMQTSA-N 0 0 339.822 4.953 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21 ZINC000004199892 210143487 /nfs/dbraw/zinc/14/34/87/210143487.db2.gz ZSNZIOLOVSOIRF-GJYPPUQNSA-N 0 0 336.391 4.738 50 10 EJCARN Brc1cccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 ZINC000004168333 210138043 /nfs/dbraw/zinc/13/80/43/210138043.db2.gz IFRQHBFWQRFPTC-HEHGZKQESA-N 0 0 327.225 4.671 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004140492 210131090 /nfs/dbraw/zinc/13/10/90/210131090.db2.gz XNBLUTHRXBHSOM-UWVAXJGDSA-N 0 0 349.430 4.617 50 10 EJCARN O=C1OC(c2ccccc2)=CC1=CNc1nc(-c2ccccc2)cs1 ZINC000003633341 210068284 /nfs/dbraw/zinc/06/82/84/210068284.db2.gz ZBKLZDGZMGIEAZ-VBKFSLOCSA-N 0 0 346.411 4.704 50 10 EJCARN CCOC(=O)C(=Cc1ccccc1OCc1ccccc1C)N=[N+]=[N-] ZINC000102922600 219241247 /nfs/dbraw/zinc/24/12/47/219241247.db2.gz UVUBJPJWNHKVDJ-ATVHPVEESA-N 0 0 337.379 4.788 50 10 EJCARN Clc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001423766 209745170 /nfs/dbraw/zinc/74/51/70/209745170.db2.gz HONIJXQMYCSNQV-UHFFFAOYSA-N 0 0 335.794 4.772 50 10 EJCARN Cc1cc(C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccc(F)cc1 ZINC000024383869 202115604 /nfs/dbraw/zinc/11/56/04/202115604.db2.gz GMENVGAGRPCCBM-UHFFFAOYSA-N 0 0 342.439 4.567 50 10 EJCARN C[C@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000072116077 216011262 /nfs/dbraw/zinc/01/12/62/216011262.db2.gz GOQWKTSADONAOR-KRWDZBQOSA-N 0 0 337.467 4.806 50 10 EJCARN O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccc(Cl)cc1 ZINC000000280740 209515599 /nfs/dbraw/zinc/51/55/99/209515599.db2.gz WNPYFSXVMGBASO-UHFFFAOYSA-N 0 0 347.801 4.727 50 10 EJCARN COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000000074888 209403646 /nfs/dbraw/zinc/40/36/46/209403646.db2.gz OQMZDIRZHMKGTG-RVKKMQEKSA-N 0 0 339.822 4.953 50 10 EJCARN Oc1ccc2ccncc2c1CN(Cc1ccccc1)CC(F)(F)F ZINC000022002905 212268922 /nfs/dbraw/zinc/26/89/22/212268922.db2.gz VSOVFUDUMFGFAF-UHFFFAOYSA-N 0 0 346.352 4.505 50 10 EJCARN CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3O)=NN21 ZINC000020070687 212099847 /nfs/dbraw/zinc/09/98/47/212099847.db2.gz VNEUPUUSNNQQEZ-APWZRJJASA-N 0 0 342.826 4.571 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 ZINC000016688867 211929781 /nfs/dbraw/zinc/92/97/81/211929781.db2.gz SLYOYRRRMOARRK-AQTBWJFISA-N 0 0 346.361 4.892 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000111441061 220155237 /nfs/dbraw/zinc/15/52/37/220155237.db2.gz WBBTXVLXSCOTRE-FUHIMQAGSA-N 0 0 336.391 4.820 50 10 EJCARN Cc1nc2sc(C(=O)OCc3ccccc3)c(N)c2c(C)c1Cl ZINC000012444712 211384339 /nfs/dbraw/zinc/38/43/39/211384339.db2.gz VJOSYIJWULFTQR-UHFFFAOYSA-N 0 0 346.839 4.506 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(F)cc1 ZINC000012412733 211371458 /nfs/dbraw/zinc/37/14/58/211371458.db2.gz DOSCHBOKTNXGCL-ZSOIEALJSA-N 0 0 349.192 4.939 50 10 EJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)c1 ZINC000010215289 211153705 /nfs/dbraw/zinc/15/37/05/211153705.db2.gz YNCBLTREGCXWAF-DYESRHJHSA-N 0 0 346.386 4.536 50 10 EJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S ZINC000005127954 210396021 /nfs/dbraw/zinc/39/60/21/210396021.db2.gz YDFFMKFXQBHWSU-FOWTUZBSSA-N 0 0 325.458 4.575 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000005050487 210375207 /nfs/dbraw/zinc/37/52/07/210375207.db2.gz WJJCSXBETIQVAP-JASJWYONSA-N 0 0 343.448 4.788 50 10 EJCARN Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000005023413 210365615 /nfs/dbraw/zinc/36/56/15/210365615.db2.gz ZJQBOCJNMDGEBH-CYBMUJFWSA-N 0 0 341.625 4.791 50 10 EJCARN O=C1c2ccccc2C(=O)C1(Nc1cccc(Cl)c1)c1ccccc1 ZINC000007000589 208569294 /nfs/dbraw/zinc/56/92/94/208569294.db2.gz QZHOGFRZFAWCMA-UHFFFAOYSA-N 0 0 347.801 4.727 50 10 EJCARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)cc1 ZINC000004868740 210308452 /nfs/dbraw/zinc/30/84/52/210308452.db2.gz JMVIANRVVAJUON-XNTDXEJSSA-N 0 0 328.824 4.731 50 10 EJCARN CC(C)CCOc1ccc(Cl)cc1C=C1SC(=S)NC1=O ZINC000017071491 563834655 /nfs/dbraw/zinc/83/46/55/563834655.db2.gz WIQNKRTZONJYBZ-MDWZMJQESA-N 0 0 341.885 4.665 50 10 EJCARN O=C1c2ccccc2-c2c1c(C[NH+]1CCCCC1)c([O-])c1ccccc21 ZINC000000012151 563211446 /nfs/dbraw/zinc/21/14/46/563211446.db2.gz CHAKERCCFYVUAD-UHFFFAOYSA-N 0 0 343.426 4.743 50 10 EJCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2F)ccc2cccnc21 ZINC000000086430 563220442 /nfs/dbraw/zinc/22/04/42/563220442.db2.gz MUKYQISWKUJOTN-HXUWFJFHSA-N 0 0 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563374446 /nfs/dbraw/zinc/37/44/46/563374446.db2.gz QNARDTDAMDFQAK-YBEGLDIGSA-N 0 0 327.474 4.697 50 10 EJCARN CC(C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001103182 563374522 /nfs/dbraw/zinc/37/45/22/563374522.db2.gz DFFVYOSKMSPAOJ-WDZFZDKYSA-N 0 0 332.277 4.603 50 10 EJCARN O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1ccccc1 ZINC000001132021 563376036 /nfs/dbraw/zinc/37/60/36/563376036.db2.gz LMYOTRJLOWFCAP-QINSGFPZSA-N 0 0 345.514 4.582 50 10 EJCARN CCc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001160159 563376337 /nfs/dbraw/zinc/37/63/37/563376337.db2.gz UPUWHHUIKLGARC-WJDWOHSUSA-N 0 0 343.448 4.794 50 10 EJCARN Cc1ccc(CN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1 ZINC000001164511 563376684 /nfs/dbraw/zinc/37/66/84/563376684.db2.gz KVXNSYHNCCGHAQ-VQCBNXJZSA-N 0 0 329.490 4.596 50 10 EJCARN Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(Br)cc1 ZINC000002049942 563419431 /nfs/dbraw/zinc/41/94/31/563419431.db2.gz VVIKNKIEZZBOOW-UHFFFAOYSA-N 0 0 346.146 4.602 50 10 EJCARN CCCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S ZINC000002706853 563446612 /nfs/dbraw/zinc/44/66/12/563446612.db2.gz COYNEFCIAPOXNT-SSZFMOIBSA-N 0 0 348.537 4.534 50 10 EJCARN Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccccc1F ZINC000004842881 563513032 /nfs/dbraw/zinc/51/30/32/563513032.db2.gz XUTXXCHFSRVQRJ-OAQYLSRUSA-N 0 0 345.377 4.676 50 10 EJCARN CCCCN1C(=O)C(=CC=CC=CNc2ccccc2)SC1=S ZINC000015937645 563800369 /nfs/dbraw/zinc/80/03/69/563800369.db2.gz SCCZIMZZRQKUKC-XYNPZBRDSA-N 0 0 344.505 4.713 50 10 EJCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000016160864 563804879 /nfs/dbraw/zinc/80/48/79/563804879.db2.gz AYLMEEBMVILMDH-MFOYZWKCSA-N 0 0 335.794 4.627 50 10 EJCARN Cc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O ZINC000016193323 563805666 /nfs/dbraw/zinc/80/56/66/563805666.db2.gz VKDYNUCLGWRLEE-WJDWOHSUSA-N 0 0 325.458 4.709 50 10 EJCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C1CCCCC1 ZINC000016448978 563811644 /nfs/dbraw/zinc/81/16/44/563811644.db2.gz ADUYOQDOWXEFGX-UVTDQMKNSA-N 0 0 337.897 4.874 50 10 EJCARN Cc1cc(NCc2cc(Br)ccc2O)ccc1Cl ZINC000044836291 563926746 /nfs/dbraw/zinc/92/67/46/563926746.db2.gz WMTLYBMFBOZMOU-UHFFFAOYSA-N 0 0 326.621 4.729 50 10 EJCARN c1csc(Sc2ncnc3scc(-c4ccccc4)c32)n1 ZINC000058377815 563944178 /nfs/dbraw/zinc/94/41/78/563944178.db2.gz QJHNGNQYMZAPDD-UHFFFAOYSA-N 0 0 327.459 4.966 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000059267069 563947812 /nfs/dbraw/zinc/94/78/12/563947812.db2.gz BKTOQYXUAMNDDY-DBXWQHBBSA-N 0 0 349.430 4.698 50 10 EJCARN CCOc1ccccc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004708851 563965919 /nfs/dbraw/zinc/96/59/19/563965919.db2.gz PICXHXBFVXCNHQ-UHFFFAOYSA-N 0 0 331.375 4.593 50 10 EJCARN O=C1N=C(Nc2cc(Cl)cc(Cl)c2)SC1=Cc1ccco1 ZINC000000106692 563986474 /nfs/dbraw/zinc/98/64/74/563986474.db2.gz NPOHAIIHRBSNKO-KPKJPENVSA-N 0 0 339.203 4.669 50 10 EJCARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000000302477 563990861 /nfs/dbraw/zinc/99/08/61/563990861.db2.gz SKNIDMSHTWWSCS-SIFCLUCFSA-N 0 0 336.391 4.738 50 10 EJCARN Nc1nn2c(nc(C3CC3)cc2C(F)(F)F)c1/N=N/c1ccccc1 ZINC000004917606 563992439 /nfs/dbraw/zinc/99/24/39/563992439.db2.gz CTGZWLXHAYISFM-GHVJWSGMSA-N 0 0 346.316 4.623 50 10 EJCARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)cc2O)N3)C1 ZINC000006358121 564002054 /nfs/dbraw/zinc/00/20/54/564002054.db2.gz XCNHIYMDKUQUKY-PIGZYNQJSA-N 0 0 342.464 4.706 50 10 EJCARN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000005333705 564002695 /nfs/dbraw/zinc/00/26/95/564002695.db2.gz BVMYCMVGLYEYLR-OPYAIIAOSA-N 0 0 333.431 4.862 50 10 EJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccccc1Cl ZINC000005550945 564005266 /nfs/dbraw/zinc/00/52/66/564005266.db2.gz GSHKMNYGVFCSAT-ZROIWOOFSA-N 0 0 332.787 4.562 50 10 EJCARN CC[NH+](CC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)c1ccccc1 ZINC000000478522 564013177 /nfs/dbraw/zinc/01/31/77/564013177.db2.gz WRTCTQJWYZCZMD-UHFFFAOYSA-N 0 0 337.419 4.520 50 10 EJCARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000005862617 564056693 /nfs/dbraw/zinc/05/66/93/564056693.db2.gz INGAQCMJEHLLOQ-XDUBLRSXSA-N 0 0 349.521 4.810 50 10 EJCARN CCOc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O ZINC000006026704 564057674 /nfs/dbraw/zinc/05/76/74/564057674.db2.gz VJXYYMMFVTVNKM-OAQYLSRUSA-N 0 0 349.434 4.552 50 10 EJCARN Cc1cc2n(n1)[C@@H](c1c(O)ccc3ccccc31)Nc1ccccc1-2 ZINC000001430286 564066947 /nfs/dbraw/zinc/06/69/47/564066947.db2.gz QTGBBSHOQWLIRJ-NRFANRHFSA-N 0 0 327.387 4.690 50 10 EJCARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C)cc2O)N3)C1 ZINC000006358810 564085286 /nfs/dbraw/zinc/08/52/86/564085286.db2.gz XCNHIYMDKUQUKY-GTNSWQLSSA-N 0 0 342.464 4.706 50 10 EJCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1c(C)cccc1C ZINC000006556657 564092048 /nfs/dbraw/zinc/09/20/48/564092048.db2.gz TXBQTSOTGVFLIT-LDADJPATSA-N 0 0 333.435 4.639 50 10 EJCARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2C)cc1 ZINC000007423496 564108305 /nfs/dbraw/zinc/10/83/05/564108305.db2.gz CSLCRAXCEHNXNT-UHFFFAOYSA-N 0 0 328.412 4.527 50 10 EJCARN CCOC(=O)c1sc(N=Nc2c(O)ccc3ccccc32)nc1C ZINC000252622530 564122922 /nfs/dbraw/zinc/12/29/22/564122922.db2.gz NXMLUMWEUFGJKT-UHFFFAOYSA-N 0 0 341.392 4.902 50 10 EJCARN CC1CC[NH+](Cc2c3c(C(=O)c4ccccc4)coc3ccc2[O-])CC1 ZINC000000217576 564125190 /nfs/dbraw/zinc/12/51/90/564125190.db2.gz TXPXMHLEOZROKN-UHFFFAOYSA-N 0 0 349.430 4.601 50 10 EJCARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccccc1 ZINC000002317936 564132180 /nfs/dbraw/zinc/13/21/80/564132180.db2.gz WCBKYYCRHUGPKH-UVTDQMKNSA-N 0 0 331.849 4.746 50 10 EJCARN [O-]c1c(Cl)cccc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000095467760 564141148 /nfs/dbraw/zinc/14/11/48/564141148.db2.gz VZRPDNDLMVFQFH-UHFFFAOYSA-N 0 0 338.838 4.816 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 ZINC000004729770 210263223 /nfs/dbraw/zinc/26/32/23/210263223.db2.gz ZBFRFAIYXJZKEC-PGMHBOJBSA-N 0 0 338.410 4.830 50 10 EJCARN Cc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1Cl ZINC000004674911 210242530 /nfs/dbraw/zinc/24/25/30/210242530.db2.gz LRUJZXIMDZAZAC-UHFFFAOYSA-N 0 0 332.812 4.927 50 10 EJCARN Fc1ccccc1/C=C/c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623255 210234426 /nfs/dbraw/zinc/23/44/26/210234426.db2.gz JIIUIAOHVFDUSY-FMIVXFBMSA-N 0 0 331.350 4.837 50 10 EJCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(C)cc1 ZINC000100105446 219091689 /nfs/dbraw/zinc/09/16/89/219091689.db2.gz GRKKHVHLWFKZBU-QGOAFFKASA-N 0 0 337.398 4.633 50 10 EJCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(Cl)cc1 ZINC000100496433 219100729 /nfs/dbraw/zinc/10/07/29/219100729.db2.gz ODRLJBPOCLOEEH-LFIBNONCSA-N 0 0 327.840 4.859 50 10 EJCARN CC1=NC(=O)[C@H](N=Nc2cccc3ccccc32)N1c1ccccc1 ZINC000008425761 201749307 /nfs/dbraw/zinc/74/93/07/201749307.db2.gz JFSMOWBFBCORIR-VCGVYRDQSA-N 0 0 328.375 4.715 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 ZINC000004199897 210144185 /nfs/dbraw/zinc/14/41/85/210144185.db2.gz CXJRSYDLJFHJRW-GJYPPUQNSA-N 0 0 336.391 4.738 50 10 EJCARN Cc1ccc(C2=C/C(=C\c3cccc(Br)c3)C(=O)O2)cc1 ZINC000013940758 201921210 /nfs/dbraw/zinc/92/12/10/201921210.db2.gz IJTWJKXIUHHTMS-OQLLNIDSSA-N 0 0 341.204 4.739 50 10 EJCARN COc1ccc(Nc2c(-c3ccc(C)o3)nc3cc(C)ccn32)cc1 ZINC000003909840 210092957 /nfs/dbraw/zinc/09/29/57/210092957.db2.gz YWNPTTOBQMJMMD-UHFFFAOYSA-N 0 0 333.391 4.963 50 10 EJCARN COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000003904431 210088981 /nfs/dbraw/zinc/08/89/81/210088981.db2.gz ITSBZBAAEDRNAC-UHFFFAOYSA-N 0 0 347.370 4.935 50 10 aggregator EJCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccsc1 ZINC000102907258 219240367 /nfs/dbraw/zinc/24/03/67/219240367.db2.gz DMZGLMPCGZCRAS-YLJYHZDGSA-N 0 0 348.427 4.696 50 10 EJCARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1[C@H](C)c1ccccc1O ZINC000067740557 215199324 /nfs/dbraw/zinc/19/93/24/215199324.db2.gz ZCBIXGXOIBXLBA-OAHLLOKOSA-N 0 0 344.418 4.564 50 10 EJCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1Cl ZINC000001244522 209720606 /nfs/dbraw/zinc/72/06/06/209720606.db2.gz JUWPVQBHFNJDSH-ZROIWOOFSA-N 0 0 349.839 4.885 50 10 EJCARN CCc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001136572 209712713 /nfs/dbraw/zinc/71/27/13/209712713.db2.gz YIGGKKJFSUMBOR-UVTDQMKNSA-N 0 0 331.487 4.716 50 10 EJCARN CCCn1c2ccccc2nc1NCc1ccc(N(CC)CC)cc1 ZINC000000617376 209682185 /nfs/dbraw/zinc/68/21/85/209682185.db2.gz YYKXVVPZXUIMIJ-UHFFFAOYSA-N 0 0 336.483 4.905 50 10 EJCARN c1coc(-c2nnc(SCc3ccccc3)nc2-c2ccco2)c1 ZINC000000085190 209409734 /nfs/dbraw/zinc/40/97/34/209409734.db2.gz QKTJLQPSNJEMRD-UHFFFAOYSA-N 0 0 335.388 4.684 50 10 aggregator EJCARN Nc1ccc(/N=N\c2cccc(/N=N\c3ccc(N)cc3N)c2)c(N)c1 ZINC000101107829 201388142 /nfs/dbraw/zinc/38/81/42/201388142.db2.gz BDFZFGDTHFGWRQ-YPAXQUSRSA-N 0 0 346.398 4.846 50 10 EJCARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000000616866 201491542 /nfs/dbraw/zinc/49/15/42/201491542.db2.gz PTFPSHNSPUVOBT-JTDSTZFVSA-N 0 0 339.822 4.953 50 10 EJCARN Cc1cc(-c2csc(N)n2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003336139 201566549 /nfs/dbraw/zinc/56/65/49/201566549.db2.gz PNJJOEGWHJLWLL-UHFFFAOYSA-N 0 0 337.370 4.819 50 10 EJCARN CCN(CC)c1ccc(/C=C2/C=C(c3cccs3)OC2=O)cc1 ZINC000021006028 212199825 /nfs/dbraw/zinc/19/98/25/212199825.db2.gz IMULHVTVIPCJHM-QINSGFPZSA-N 0 0 325.433 4.576 50 10 EJCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)c(C)c(=O)oc21 ZINC000020292095 212117237 /nfs/dbraw/zinc/11/72/37/212117237.db2.gz RGSPHZMFORVAPR-CYBMUJFWSA-N 0 0 349.858 4.533 50 10 EJCARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccc1 ZINC000020070566 212099424 /nfs/dbraw/zinc/09/94/24/212099424.db2.gz ZZRHRDVRAIGEOG-DENIHFKCSA-N 0 0 342.398 4.635 50 10 EJCARN CC[C@@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(N)cc1 ZINC000019736815 212059648 /nfs/dbraw/zinc/05/96/48/212059648.db2.gz HWIUHMFWKMYUMJ-RDTXWAMCSA-N 0 0 326.440 4.578 50 10 EJCARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000013534896 211574227 /nfs/dbraw/zinc/57/42/27/211574227.db2.gz KWALEVGWBKCURV-XNTDXEJSSA-N 0 0 345.876 4.741 50 10 EJCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1 ZINC000013121715 211524148 /nfs/dbraw/zinc/52/41/48/211524148.db2.gz PEJRHVZLNICCEL-NRFANRHFSA-N 0 0 344.414 4.757 50 10 EJCARN O[C@H](c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 ZINC000012860319 211470821 /nfs/dbraw/zinc/47/08/21/211470821.db2.gz BGPRLLDYSIDLNQ-FBNDGMMSSA-N 0 0 346.386 4.955 50 10 EJCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(Cl)cc1 ZINC000012492096 211393547 /nfs/dbraw/zinc/39/35/47/211393547.db2.gz XNWVBJWCUNWBIX-NQDFZQDQSA-N 0 0 347.848 4.895 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000012447479 211386962 /nfs/dbraw/zinc/38/69/62/211386962.db2.gz NYBLHOFQKURDGV-WJDWOHSUSA-N 0 0 325.458 4.709 50 10 EJCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000012380178 211361406 /nfs/dbraw/zinc/36/14/06/211361406.db2.gz NIEIBSOENFBQGF-MBOZVWFJSA-N 0 0 334.375 4.624 50 10 EJCARN CC(=C\c1ccco1)/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000012342837 211352554 /nfs/dbraw/zinc/35/25/54/211352554.db2.gz MYDNKDUDATUNLH-NZWDAJRTSA-N 0 0 333.478 4.760 50 10 EJCARN Cc1cc(CNC(=O)NCCC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000009228832 211054487 /nfs/dbraw/zinc/05/44/87/211054487.db2.gz JWULVTQQRWITJG-UHFFFAOYSA-N 0 0 347.890 4.593 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1C ZINC000009232277 211056391 /nfs/dbraw/zinc/05/63/91/211056391.db2.gz SNQSCMYHUXGALQ-MHWRWJLKSA-N 0 0 343.448 4.848 50 10 EJCARN Cc1cc(C(=O)C(=O)Nc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000006780863 210708741 /nfs/dbraw/zinc/70/87/41/210708741.db2.gz WEPZVISHELFBPI-UHFFFAOYSA-N 0 0 346.430 4.532 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C)c1 ZINC000006008915 210576814 /nfs/dbraw/zinc/57/68/14/210576814.db2.gz RYAKRQJUAVDKCS-MHWRWJLKSA-N 0 0 343.448 4.848 50 10 EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 ZINC000005740437 210528603 /nfs/dbraw/zinc/52/86/03/210528603.db2.gz CXJRSYDLJFHJRW-JTDSTZFVSA-N 0 0 336.391 4.738 50 10 EJCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000005172434 210406621 /nfs/dbraw/zinc/40/66/21/210406621.db2.gz SHOHXBSXOUVMBK-ZSOIEALJSA-N 0 0 349.839 4.885 50 10 EJCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2F)ccc2cccnc21 ZINC000000086416 563220388 /nfs/dbraw/zinc/22/03/88/563220388.db2.gz MUKYQISWKUJOTN-FQEVSTJZSA-N 0 0 345.377 4.676 50 10 EJCARN CCCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1O ZINC000000111474 563229952 /nfs/dbraw/zinc/22/99/52/563229952.db2.gz ONMZSGUEAUWIAY-GFCCVEGCSA-N 0 0 329.831 4.978 50 10 EJCARN CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc21 ZINC000000245288 563265782 /nfs/dbraw/zinc/26/57/82/563265782.db2.gz VGBJXXVKWAWGRC-QFIPXVFZSA-N 0 0 349.430 4.560 50 10 EJCARN CCCC(=O)N[C@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc21 ZINC000000245294 563265806 /nfs/dbraw/zinc/26/58/06/563265806.db2.gz VGBJXXVKWAWGRC-JOCHJYFZSA-N 0 0 349.430 4.560 50 10 EJCARN Cc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1 ZINC000000361555 563294028 /nfs/dbraw/zinc/29/40/28/563294028.db2.gz ABWZCROWUAHPLA-UHFFFAOYSA-N 0 0 335.378 4.687 50 10 EJCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)cc1)c1ccccc1 ZINC000000436562 563313345 /nfs/dbraw/zinc/31/33/45/563313345.db2.gz NFLDCQKFVYOJJZ-UHFFFAOYSA-N 0 0 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Cc1ccc(C2=N[C@@H](c3ccsc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000006808801 564098408 /nfs/dbraw/zinc/09/84/08/564098408.db2.gz VABRGHFNLVWTAD-TZIWHRDSSA-N 0 0 348.471 4.985 50 10 EJCARN Cc1cc2c(n1-c1ccc(C(=O)NC3CCCC3)cc1)CC[C@@H](C)C2 ZINC000006877933 564100416 /nfs/dbraw/zinc/10/04/16/564100416.db2.gz SSUHGFFKFFVXEK-OAHLLOKOSA-N 0 0 336.479 4.583 50 10 EJCARN COc1ccc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000014165844 564112246 /nfs/dbraw/zinc/11/22/46/564112246.db2.gz XDFSRIBCWBUTOS-UVFQYZLESA-N 0 0 336.391 4.738 50 10 EJCARN Cc1cc(C)nc(NC(=N)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000252460691 564118649 /nfs/dbraw/zinc/11/86/49/564118649.db2.gz HLAUONMJYBUNIK-UHFFFAOYSA-N 0 0 345.410 4.968 50 10 EJCARN Oc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000013121745 564136033 /nfs/dbraw/zinc/13/60/33/564136033.db2.gz AZFVNSILTBVJIL-FQEVSTJZSA-N 0 0 332.378 4.887 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000095471537 564141236 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Cc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1 ZINC000004513162 210210203 /nfs/dbraw/zinc/21/02/03/210210203.db2.gz SZTREJZKLZINMX-RIYZIHGNSA-N 0 0 341.750 4.538 50 10 EJCARN Cc1ccc(N=NNc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000004481694 210199756 /nfs/dbraw/zinc/19/97/56/210199756.db2.gz YUSWTGRUQGZWQL-UHFFFAOYSA-N 0 0 341.370 4.881 50 10 EJCARN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004471753 210194420 /nfs/dbraw/zinc/19/44/20/210194420.db2.gz LHZUGQLZVGSFGB-GXDHUFHOSA-N 0 0 347.486 4.553 50 10 EJCARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(Cl)c1 ZINC000004387527 210186343 /nfs/dbraw/zinc/18/63/43/210186343.db2.gz POOUANLEQAIUJI-NTOUICHMSA-N 0 0 347.848 4.895 50 10 EJCARN COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004371922 210182126 /nfs/dbraw/zinc/18/21/26/210182126.db2.gz OQMZDIRZHMKGTG-HDMKZQKVSA-N 0 0 339.822 4.953 50 10 EJCARN Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004164934 210136262 /nfs/dbraw/zinc/13/62/62/210136262.db2.gz 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C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000000123384 563235854 /nfs/dbraw/zinc/23/58/54/563235854.db2.gz JGAUFMZMPSQKEH-OAHLLOKOSA-N 0 0 349.430 4.540 50 10 biogenic EJCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000000180347 563254074 /nfs/dbraw/zinc/25/40/74/563254074.db2.gz LBEMODQQJGACLE-SIFCLUCFSA-N 0 0 334.375 4.624 50 10 EJCARN O=[N+]([O-])c1ccc(Cl)c(C2Nc3cccc4cccc(c43)N2)c1 ZINC000000232260 563263708 /nfs/dbraw/zinc/26/37/08/563263708.db2.gz IIWIPLGHHRKVMX-UHFFFAOYSA-N 0 0 325.755 4.938 50 10 aggregator EJCARN Cc1ccc(Oc2cc(O)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000000280856 563271929 /nfs/dbraw/zinc/27/19/29/563271929.db2.gz JOVYPYIPNCZZFU-UHFFFAOYSA-N 0 0 343.338 4.846 50 10 EJCARN C[C@@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1O ZINC000000617471 563359489 /nfs/dbraw/zinc/35/94/89/563359489.db2.gz UUJROZNSAIIXMR-SECBINFHSA-N 0 0 326.621 4.981 50 10 EJCARN Oc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000000732346 563363018 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/nfs/dbraw/zinc/61/83/71/201618371.db2.gz MZKPZDRFDHZNND-ISLYRVAYSA-N 0 0 343.343 4.765 50 10 EJCARN Oc1c([C@H](Nc2ccccn2)c2cccs2)ccc2cccnc21 ZINC000019851363 212076415 /nfs/dbraw/zinc/07/64/15/212076415.db2.gz ICJKSTJCIAGPIS-SFHVURJKSA-N 0 0 333.416 4.598 50 10 biogenic EJCARN CCc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015012096 211788025 /nfs/dbraw/zinc/78/80/25/211788025.db2.gz FXXOFECWHDFMSL-LFIBNONCSA-N 0 0 343.448 4.794 50 10 EJCARN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 ZINC000013785717 211639578 /nfs/dbraw/zinc/63/95/78/211639578.db2.gz VWKWUKLOIXJUEQ-LCYFTJDESA-N 0 0 347.486 4.570 50 10 EJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)c1 ZINC000006721655 210690476 /nfs/dbraw/zinc/69/04/76/210690476.db2.gz BEAMYWSBNKKYIF-GHTZIAJQSA-N 0 0 336.435 4.616 50 10 EJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21 ZINC000004852964 210300895 /nfs/dbraw/zinc/30/08/95/210300895.db2.gz YOIYDNCFRCFMAZ-FJXLLPKBSA-N 0 0 340.423 4.804 50 10 EJCARN CCCCN1C(=O)C(=CC=CC=CNc2ccccc2)SC1=S ZINC000004797769 210280484 /nfs/dbraw/zinc/28/04/84/210280484.db2.gz SCCZIMZZRQKUKC-BHMUNWMQSA-N 0 0 344.505 4.713 50 10 EJCARN S=C(NN=c1c2ccccc2[nH]c2ccccc21)Nc1ccccc1 ZINC000004750889 210271050 /nfs/dbraw/zinc/27/10/50/210271050.db2.gz UWXHRQNQOPTLLV-UHFFFAOYSA-N 0 0 344.443 4.702 50 10 EJCARN Cc1cccc(N2C(=O)S[C@@H](Nc3cccc4ccccc43)C2=O)c1 ZINC000004748384 210269375 /nfs/dbraw/zinc/26/93/75/210269375.db2.gz USOJZOXJTMSULC-GOSISDBHSA-N 0 0 348.427 4.786 50 10 EJCARN Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000000086968 563220818 /nfs/dbraw/zinc/22/08/18/563220818.db2.gz FKUCTQLWKBYBAP-OXQOHEQNSA-N 0 0 348.427 4.696 50 10 EJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccccc1Cl ZINC000000101363 563225985 /nfs/dbraw/zinc/22/59/85/563225985.db2.gz GSHKMNYGVFCSAT-NTEUORMPSA-N 0 0 332.787 4.562 50 10 EJCARN Cc1ccc(C)n1-c1ccc([C@@]2(O)CCSc3ccccc32)cc1 ZINC000000119741 563233711 /nfs/dbraw/zinc/23/37/11/563233711.db2.gz ZLMUQWSWVXKLMF-NRFANRHFSA-N 0 0 335.472 4.826 50 10 EJCARN Cc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1Br ZINC000000165465 563249665 /nfs/dbraw/zinc/24/96/65/563249665.db2.gz WYUNFFFYRXWGIH-UHFFFAOYSA-N 0 0 334.135 4.755 50 10 EJCARN COc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000000288860 563273398 /nfs/dbraw/zinc/27/33/98/563273398.db2.gz ZLLBUJZAVNCHIE-UHFFFAOYSA-N 0 0 338.407 4.806 50 10 EJCARN CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1 ZINC000000359732 563292919 /nfs/dbraw/zinc/29/29/19/563292919.db2.gz BIRFJARBRREUSH-UHFFFAOYSA-N 0 0 349.430 4.982 50 10 EJCARN Cc1nc(N)sc1-c1csc(Nc2cc(Cl)ccc2C)n1 ZINC000000613062 563355957 /nfs/dbraw/zinc/35/59/57/563355957.db2.gz YNKSISRFNKZNAE-UHFFFAOYSA-N 0 0 336.873 4.863 50 10 EJCARN CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000001136652 563375946 /nfs/dbraw/zinc/37/59/46/563375946.db2.gz QYGIAJMQFSEWNH-GDNBJRDFSA-N 0 0 343.473 4.865 50 10 EJCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001164455 563376718 /nfs/dbraw/zinc/37/67/18/563376718.db2.gz JEOXKKQAFSEVAI-VQLBTBKJSA-N 0 0 346.304 4.993 50 10 EJCARN CCN(CC)c1ccc(C2Nc3cccc4cccc(c43)N2)c(O)c1 ZINC000001740248 563409006 /nfs/dbraw/zinc/40/90/06/563409006.db2.gz RPXUXCFXWGEKGU-UHFFFAOYSA-N 0 0 333.435 4.928 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 ZINC000002256413 563428124 /nfs/dbraw/zinc/42/81/24/563428124.db2.gz OAASBQQUXFVUNC-ONKXNFODSA-N 0 0 337.469 4.957 50 10 EJCARN Cc1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O ZINC000002502838 563434517 /nfs/dbraw/zinc/43/45/17/563434517.db2.gz SPRYGMKSLFQEGD-NRFANRHFSA-N 0 0 341.414 4.845 50 10 EJCARN Cc1cc(C)c(O)c(C2=NN[C@@H](c3c(Cl)cccc3Cl)C2)c1 ZINC000004423338 563701759 /nfs/dbraw/zinc/70/17/59/563701759.db2.gz LJUDXXVVXZOTRX-OAHLLOKOSA-N 0 0 335.234 4.755 50 10 EJCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC1CCCCC1 ZINC000015011194 563771842 /nfs/dbraw/zinc/77/18/42/563771842.db2.gz NNSUIHITOCOXNG-VBKFSLOCSA-N 0 0 349.496 4.997 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000015134518 563778643 /nfs/dbraw/zinc/77/86/43/563778643.db2.gz AZPPAIHEFRNDJU-WQRHYEAKSA-N 0 0 339.826 4.675 50 10 EJCARN Cc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000016193122 563805571 /nfs/dbraw/zinc/80/55/71/563805571.db2.gz AJTBQIAXQADVHQ-GDNBJRDFSA-N 0 0 329.421 4.540 50 10 EJCARN O=C1c2ccccc2C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000018045208 563847495 /nfs/dbraw/zinc/84/74/95/563847495.db2.gz UBEKWBZJHSHKCG-JQBYJRRVSA-N 0 0 336.390 4.589 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000013566860 563925076 /nfs/dbraw/zinc/92/50/76/563925076.db2.gz DHIUFRQKHIZKHW-YBEGLDIGSA-N 0 0 331.202 4.800 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000059267068 563947814 /nfs/dbraw/zinc/94/78/14/563947814.db2.gz ILAAWHTXDIGTIR-MBOZVWFJSA-N 0 0 336.391 4.820 50 10 EJCARN COc1cc2c(cc1NCc1ncc(Cl)n1C)oc1ccccc12 ZINC000096969735 563970890 /nfs/dbraw/zinc/97/08/90/563970890.db2.gz HDYLBBLPFSHCSF-UHFFFAOYSA-N 0 0 341.798 4.594 50 10 EJCARN CN(C)c1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000424301 563998428 /nfs/dbraw/zinc/99/84/28/563998428.db2.gz XTOXOQYKNZPRFN-UHFFFAOYSA-N 0 0 348.427 4.650 50 10 EJCARN CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000005194651 564000285 /nfs/dbraw/zinc/00/02/85/564000285.db2.gz RBUVZCMLXDRKHK-FOWTUZBSSA-N 0 0 341.457 4.700 50 10 EJCARN Cc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000017917542 564013269 /nfs/dbraw/zinc/01/32/69/564013269.db2.gz YEXOYCIZRUADOZ-YVLHZVERSA-N 0 0 333.416 4.559 50 10 EJCARN CN(C)c1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000520793 564020965 /nfs/dbraw/zinc/02/09/65/564020965.db2.gz BKPVLNCGGPPWNO-NRFANRHFSA-N 0 0 340.430 4.742 50 10 EJCARN C[C@H](NC(=O)c1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000108507486 564028320 /nfs/dbraw/zinc/02/83/20/564028320.db2.gz RLQDKZIRNZXARX-CVEARBPZSA-N 0 0 340.442 4.553 50 10 EJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001190295 564056354 /nfs/dbraw/zinc/05/63/54/564056354.db2.gz LKNREEINIRIZAN-COOUDCDJSA-N 0 0 343.448 4.788 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cl ZINC000137033253 564056648 /nfs/dbraw/zinc/05/66/48/564056648.db2.gz OGMRYTHCFHDCJS-XNTDXEJSSA-N 0 0 331.202 4.800 50 10 EJCARN CCOc1cccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O ZINC000006026705 564057671 /nfs/dbraw/zinc/05/76/71/564057671.db2.gz VJXYYMMFVTVNKM-NRFANRHFSA-N 0 0 349.434 4.552 50 10 EJCARN Cc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001239965 564062490 /nfs/dbraw/zinc/06/24/90/564062490.db2.gz XMYPSMYLLBJLPB-GDNBJRDFSA-N 0 0 329.421 4.540 50 10 EJCARN Cc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1C ZINC000001837903 564088784 /nfs/dbraw/zinc/08/87/84/564088784.db2.gz FYPPZDRNGWYFTL-ZDLGFXPLSA-N 0 0 347.443 4.867 50 10 EJCARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3O)=NN21 ZINC000006721627 564096387 /nfs/dbraw/zinc/09/63/87/564096387.db2.gz VNEUPUUSNNQQEZ-QFBILLFUSA-N 0 0 342.826 4.571 50 10 EJCARN CCCn1cnc2cc(NCc3ccc(Br)cc3)ccc21 ZINC000002464942 564118236 /nfs/dbraw/zinc/11/82/36/564118236.db2.gz PYKOYYUURIKOOL-UHFFFAOYSA-N 0 0 344.256 4.821 50 10 EJCARN COc1ccc(N=Nc2nc3ccc(Br)cc3n2C)cc1 ZINC000252604410 564121269 /nfs/dbraw/zinc/12/12/69/564121269.db2.gz FZNBIBWHUXFOMF-UHFFFAOYSA-N 0 0 345.200 4.760 50 10 EJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000095471525 564141232 /nfs/dbraw/zinc/14/12/32/564141232.db2.gz IGXNSJMFOXRONL-NDENLUEZSA-N 0 0 333.435 4.639 50 10 EJCARN Cc1ccc(S(=O)(=O)/N=N/[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028294098 564150930 /nfs/dbraw/zinc/15/09/30/564150930.db2.gz FUVWZWSNKKDFFV-HBGJGKTJSA-N 0 0 346.496 4.741 50 10 EJCARN O=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccn1-c1ccccc1F ZINC000004663607 210240318 /nfs/dbraw/zinc/24/03/18/210240318.db2.gz UWDNAAQCMOEOGX-QINSGFPZSA-N 0 0 349.336 4.737 50 10 EJCARN Cc1cc(C=O)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004663033 210239684 /nfs/dbraw/zinc/23/96/84/210239684.db2.gz GRZCUVVSCIHDOE-UHFFFAOYSA-N 0 0 341.411 4.559 50 10 EJCARN CC(C)(C)c1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 ZINC000004603697 210230088 /nfs/dbraw/zinc/23/00/88/210230088.db2.gz RYSGZGRYVBQMSO-VKAVYKQESA-N 0 0 342.508 4.830 50 10 EJCARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004481848 210199787 /nfs/dbraw/zinc/19/97/87/210199787.db2.gz LFJQOXLALJZPEQ-FCEWJHQRSA-N 0 0 339.822 4.953 50 10 EJCARN CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000004272012 210157121 /nfs/dbraw/zinc/15/71/21/210157121.db2.gz WZKXBGJNNCGHIC-UHFFFAOYSA-N 0 0 330.475 4.999 50 10 in-vitro EJCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 ZINC000004151428 210132784 /nfs/dbraw/zinc/13/27/84/210132784.db2.gz CXJRSYDLJFHJRW-TXPKVOOTSA-N 0 0 336.391 4.738 50 10 EJCARN CN(C)c1ccc([C@@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)cc1 ZINC000004125406 210127147 /nfs/dbraw/zinc/12/71/47/210127147.db2.gz KMIHZJCZKLZSCN-SFHVURJKSA-N 0 0 349.459 4.910 50 10 EJCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(Cl)cc1 ZINC000013765792 201914653 /nfs/dbraw/zinc/91/46/53/201914653.db2.gz ODRLJBPOCLOEEH-WJDWOHSUSA-N 0 0 327.840 4.859 50 10 EJCARN CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 ZINC000003861309 210080220 /nfs/dbraw/zinc/08/02/20/210080220.db2.gz HNVCXDAVEHOIBP-VHEBQXMUSA-N 0 0 349.232 4.811 50 10 EJCARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1 ZINC000102881481 219237326 /nfs/dbraw/zinc/23/73/26/219237326.db2.gz FTIVWMPEPFNIPZ-ZSOIEALJSA-N 0 0 334.158 4.551 50 10 EJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccs1 ZINC000102907251 219240947 /nfs/dbraw/zinc/24/09/47/219240947.db2.gz SUEDMBTZTFQXGD-OXJNMPFZSA-N 0 0 348.427 4.696 50 10 EJCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002452914 209851545 /nfs/dbraw/zinc/85/15/45/209851545.db2.gz XNWVBJWCUNWBIX-GSPDUGTFSA-N 0 0 347.848 4.895 50 10 EJCARN CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000002091713 209819007 /nfs/dbraw/zinc/81/90/07/209819007.db2.gz DIRDKZCTXYKEHM-HXUWFJFHSA-N 0 0 342.483 4.524 50 10 biogenic EJCARN Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1C ZINC000001245154 209720761 /nfs/dbraw/zinc/72/07/61/209720761.db2.gz UMCKZDPJMGCHSZ-YBEGLDIGSA-N 0 0 343.448 4.848 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c(C)c1 ZINC000001250333 209720723 /nfs/dbraw/zinc/72/07/23/209720723.db2.gz VAOXHERYVXGXEH-YBEGLDIGSA-N 0 0 343.448 4.848 50 10 EJCARN CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001103203 209711176 /nfs/dbraw/zinc/71/11/76/209711176.db2.gz ZIUPKIPROZFTAZ-XGICHPGQSA-N 0 0 346.304 4.851 50 10 EJCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)c(C)c(=O)oc21 ZINC000020292098 212116281 /nfs/dbraw/zinc/11/62/81/212116281.db2.gz RGSPHZMFORVAPR-ZDUSSCGKSA-N 0 0 349.858 4.533 50 10 EJCARN CC[C@@H](C)c1ccccc1O[C@@H](CC)C(=O)Nc1ccc(N)cc1 ZINC000019736813 212059088 /nfs/dbraw/zinc/05/90/88/212059088.db2.gz HWIUHMFWKMYUMJ-KDOFPFPSSA-N 0 0 326.440 4.578 50 10 EJCARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000016291516 211894184 /nfs/dbraw/zinc/89/41/84/211894184.db2.gz XQEMZDGWQZADIH-WJDWOHSUSA-N 0 0 325.458 4.709 50 10 EJCARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1F ZINC000016193367 211889059 /nfs/dbraw/zinc/88/90/59/211889059.db2.gz KSOXCFSLIBHJGM-FLIHGVEMSA-N 0 0 341.432 4.788 50 10 EJCARN CC(C)c1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000004471718 205707139 /nfs/dbraw/zinc/70/71/39/205707139.db2.gz OYJYWPDUYZUIKX-RQZCQDPDSA-N 0 0 334.371 4.520 50 10 EJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000100927539 206260710 /nfs/dbraw/zinc/26/07/10/206260710.db2.gz FHDQNOXVIYTHPS-WQRHYEAKSA-N 0 0 339.826 4.675 50 10 EJCARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccccc1Cl ZINC000013590833 211588600 /nfs/dbraw/zinc/58/86/00/211588600.db2.gz ZGQBCSDSZXAGFQ-KAMYIIQDSA-N 0 0 327.840 4.859 50 10 EJCARN COc1cc2c(cc1NCC(=O)Nc1ccccc1)oc1ccccc12 ZINC000011619235 211226376 /nfs/dbraw/zinc/22/63/76/211226376.db2.gz LZDHJHJZCLACOI-UHFFFAOYSA-N 0 0 346.386 4.645 50 10 EJCARN Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)c1 ZINC000009378249 211078248 /nfs/dbraw/zinc/07/82/48/211078248.db2.gz HOQQGFPBOKRLFP-UHFFFAOYSA-N 0 0 345.855 4.564 50 10 EJCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000009228843 211056402 /nfs/dbraw/zinc/05/64/02/211056402.db2.gz ICMAIGCYTUQOMY-UHFFFAOYSA-N 0 0 333.435 4.724 50 10 EJCARN Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1F ZINC000006823736 210723417 /nfs/dbraw/zinc/72/34/17/210723417.db2.gz LNIHCMSSHUIMRS-UHFFFAOYSA-N 0 0 345.373 4.521 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 ZINC000005061249 210379653 /nfs/dbraw/zinc/37/96/53/210379653.db2.gz JUYCHQWVDSKDAZ-QEEYODRMSA-N 0 0 337.394 4.829 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000004959542 210341058 /nfs/dbraw/zinc/34/10/58/210341058.db2.gz ILAAWHTXDIGTIR-HLIPFELVSA-N 0 0 336.391 4.820 50 10 EJCARN CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000004926959 210325931 /nfs/dbraw/zinc/32/59/31/210325931.db2.gz VEOHNQGJYMXYEA-JLHYYAGUSA-N 0 0 325.886 4.731 50 10 EJCARN COc1cc2c(cc1OC)C1=C(C3=CCC(=O)[C@]3(C)CC1)[C@H](C)S2 ZINC000033785688 257691786 /nfs/dbraw/zinc/69/17/86/257691786.db2.gz MWIYBQMVEHXNMK-PRWKNARSSA-N 0 0 342.460 4.651 50 10 EJCARN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000230009141 535827543 /nfs/dbraw/zinc/82/75/43/535827543.db2.gz BVMYCMVGLYEYLR-DBXWQHBBSA-N 0 0 333.431 4.862 50 10 EJCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001164453 563376592 /nfs/dbraw/zinc/37/65/92/563376592.db2.gz JEOXKKQAFSEVAI-HLPMDPMVSA-N 0 0 346.304 4.993 50 10 EJCARN Cc1cc(C=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000000037796 563212149 /nfs/dbraw/zinc/21/21/49/563212149.db2.gz WEKMBYCRDQJYTF-UHFFFAOYSA-N 0 0 328.209 4.822 50 10 EJCARN Oc1ccc(Br)cc1CNc1cccc(C(F)(F)F)c1 ZINC000000087493 563221191 /nfs/dbraw/zinc/22/11/91/563221191.db2.gz CYNXHIKETOAAPK-UHFFFAOYSA-N 0 0 346.146 4.786 50 10 EJCARN COc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 ZINC000000298582 563275479 /nfs/dbraw/zinc/27/54/79/563275479.db2.gz 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CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000169617160 564017129 /nfs/dbraw/zinc/01/71/29/564017129.db2.gz YOIYDNCFRCFMAZ-NVQRDWNXSA-N 0 0 340.423 4.804 50 10 EJCARN CCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000005863278 564056696 /nfs/dbraw/zinc/05/66/96/564056696.db2.gz ATOAZJRAIGNCQX-YRNVUSSQSA-N 0 0 332.277 4.605 50 10 EJCARN Oc1c([C@@H](Nc2ccccn2)c2cccc(F)c2)ccc2cccnc21 ZINC000005932294 564057080 /nfs/dbraw/zinc/05/70/80/564057080.db2.gz SVVYTUGDBBGVBU-IBGZPJMESA-N 0 0 345.377 4.676 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000001244766 564062676 /nfs/dbraw/zinc/06/26/76/564062676.db2.gz LFCOWLKXFDUELZ-GDNBJRDFSA-N 0 0 329.421 4.540 50 10 EJCARN Cc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 ZINC000001306255 564063106 /nfs/dbraw/zinc/06/31/06/564063106.db2.gz CPVYNNOMNVUPBL-GDNBJRDFSA-N 0 0 329.421 4.540 50 10 EJCARN CC1=NN(c2ccccc2)C(=O)C1=NNc1cccc2ncccc21 ZINC000006269027 564066316 /nfs/dbraw/zinc/06/63/16/564066316.db2.gz 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ZINC000006780869 564097611 /nfs/dbraw/zinc/09/76/11/564097611.db2.gz HQCJZIKBHBGIPJ-UHFFFAOYSA-N 0 0 346.430 4.532 50 10 EJCARN Cc1ccc(C2=N[C@H](c3ccsc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000006808798 564098420 /nfs/dbraw/zinc/09/84/20/564098420.db2.gz VABRGHFNLVWTAD-FPOVZHCZSA-N 0 0 348.471 4.985 50 10 EJCARN COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000000361411 564116677 /nfs/dbraw/zinc/11/66/77/564116677.db2.gz SGLREXUOWRQEEN-LPMFXHHGSA-N 0 0 336.391 4.738 50 10 EJCARN O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)C2CC2)c1)C1CC1 ZINC000252612935 564121883 /nfs/dbraw/zinc/12/18/83/564121883.db2.gz IXHBGCJZYFNULR-UHFFFAOYSA-N 0 0 348.406 4.799 50 10 EJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000002443632 564135225 /nfs/dbraw/zinc/13/52/25/564135225.db2.gz HZRAXYWNEKCZJJ-IEMQHYRPSA-N 0 0 343.448 4.788 50 10 EJCARN Cc1cc(C(=O)COc2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000003269200 564156798 /nfs/dbraw/zinc/15/67/98/564156798.db2.gz PBYLOHFKZDEYLK-UHFFFAOYSA-N 0 0 337.394 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/nfs/dbraw/zinc/25/44/76/213254476.db2.gz FFDPETWTYCGHCY-UHFFFAOYSA-N 0 0 347.447 4.751 50 10 EJCARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(F)cc3)S2)cc1Cl ZINC000000446725 209605773 /nfs/dbraw/zinc/60/57/73/209605773.db2.gz OPPXSFANQDYQJE-NVNXTCNLSA-N 0 0 346.814 4.870 50 10 EJCARN Cc1ccccc1N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000033324156 202258278 /nfs/dbraw/zinc/25/82/78/202258278.db2.gz UYZLENPCNZVWQZ-QHMSGILQSA-N 0 0 337.469 4.957 50 10 EJCARN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1O ZINC000000049562 209390580 /nfs/dbraw/zinc/39/05/80/209390580.db2.gz QSKYRBNUPZRQQU-UHFFFAOYSA-N 0 0 328.371 4.822 50 10 EJCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2)ccc2cccnc21 ZINC000022911740 212332355 /nfs/dbraw/zinc/33/23/55/212332355.db2.gz WHPVVFZPXKODBB-IBGZPJMESA-N 0 0 327.387 4.537 50 10 in-vitro EJCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2)ccc2cccnc21 ZINC000022911742 212332791 /nfs/dbraw/zinc/33/27/91/212332791.db2.gz WHPVVFZPXKODBB-LJQANCHMSA-N 0 0 327.387 4.537 50 10 in-vitro EJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)c1 ZINC000010215285 201503937 /nfs/dbraw/zinc/50/39/37/201503937.db2.gz YNCBLTREGCXWAF-LAUBAEHRSA-N 0 0 346.386 4.536 50 10 EJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccs3)c(O)c2n1 ZINC000021486987 212226590 /nfs/dbraw/zinc/22/65/90/212226590.db2.gz ZHKMFXSAMQTNMX-LJQANCHMSA-N 0 0 347.443 4.907 50 10 EJCARN COc1ccccc1/C=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000003892583 201583683 /nfs/dbraw/zinc/58/36/83/201583683.db2.gz NKPNVJFLUDJSIN-ZRDIBKRKSA-N 0 0 340.378 4.641 50 10 biogenic EJCARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000004491567 201602980 /nfs/dbraw/zinc/60/29/80/201602980.db2.gz SZEWUTPPHYLRMC-STZFKDTASA-N 0 0 326.399 4.954 50 10 EJCARN CCCCNc1cc(NCC)c2c3c1noc3-c1ccccc1C2=O ZINC000020322357 212119276 /nfs/dbraw/zinc/11/92/76/212119276.db2.gz XPYXIIBURSCFHK-UHFFFAOYSA-N 0 0 335.407 4.683 50 10 EJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000111477941 204358569 /nfs/dbraw/zinc/35/85/69/204358569.db2.gz 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C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000005051157 210375274 /nfs/dbraw/zinc/37/52/74/210375274.db2.gz LKNREEINIRIZAN-PILJQMSFSA-N 0 0 343.448 4.788 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000004959568 210340604 /nfs/dbraw/zinc/34/06/04/210340604.db2.gz BKTOQYXUAMNDDY-OPYAIIAOSA-N 0 0 349.430 4.698 50 10 EJCARN CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000004955217 210338763 /nfs/dbraw/zinc/33/87/63/210338763.db2.gz ASHJMLRCKGFPBM-KPKJPENVSA-N 0 0 346.304 4.995 50 10 EJCARN CSc1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000004843012 210296007 /nfs/dbraw/zinc/29/60/07/210296007.db2.gz PEOPVYSLWNCYDV-UHFFFAOYSA-N 0 0 346.883 4.914 50 10 EJCARN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004809958 210283808 /nfs/dbraw/zinc/28/38/08/210283808.db2.gz WBBTXVLXSCOTRE-HLIPFELVSA-N 0 0 336.391 4.820 50 10 EJCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000004803951 210279798 /nfs/dbraw/zinc/27/97/98/210279798.db2.gz 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O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(F)cc1 ZINC000015724469 563791088 /nfs/dbraw/zinc/79/10/88/563791088.db2.gz DUMQGMKAAFARJF-QSJINSDNSA-N 0 0 341.432 4.788 50 10 EJCARN Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 ZINC000027533618 563896333 /nfs/dbraw/zinc/89/63/33/563896333.db2.gz RFFJWBUVMUJNBB-XEXQVEHGSA-N 0 0 327.430 4.550 50 10 EJCARN Oc1ccccc1[C@@H]1CC(c2ccccc2)=N[C@@H](c2cccs2)N1 ZINC000058083320 563937291 /nfs/dbraw/zinc/93/72/91/563937291.db2.gz FPSQVQJUODRHBS-FXAWDEMLSA-N 0 0 334.444 4.676 50 10 EJCARN Oc1c([C@H](Nc2nccs2)c2ccccc2)ccc2cccnc21 ZINC000000086133 563975890 /nfs/dbraw/zinc/97/58/90/563975890.db2.gz NQYFDGQDVDDGGJ-MRXNPFEDSA-N 0 0 333.416 4.598 50 10 EJCARN COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000016425253 563976303 /nfs/dbraw/zinc/97/63/03/563976303.db2.gz SGLREXUOWRQEEN-NJSLBKSFSA-N 0 0 336.391 4.738 50 10 EJCARN Cc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000343059 564000171 /nfs/dbraw/zinc/00/01/71/564000171.db2.gz 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