smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C1=C([O-])C(=O)C2=C(C(=O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000068564916 201163323 /nfs/dbraw/zinc/16/33/23/201163323.db2.gz OUFALIMUAGMGPU-YUNKPMOVSA-N -1 1 330.424 3.708 40 30 EHEBMM CCc1cccc(C)c1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001625079 563397518 /nfs/dbraw/zinc/39/75/18/563397518.db2.gz GAIWCIYJFTXIBB-UHFFFAOYSA-N -1 1 332.425 3.581 40 30 EHEBMM CCc1cccc(C)c1NC([O-])=NS(=O)(=O)c1ccc(C)cc1 ZINC000001625079 563397522 /nfs/dbraw/zinc/39/75/22/563397522.db2.gz GAIWCIYJFTXIBB-UHFFFAOYSA-N -1 1 332.425 3.581 40 30 EHEBMM CCCCC[C@H](C/C=N\N(C)C)C([O-])(C(F)(F)F)C(F)(F)F ZINC000017249178 563841586 /nfs/dbraw/zinc/84/15/86/563841586.db2.gz DUQTZXKXIYNAQS-ZHLXBYETSA-N -1 1 336.320 3.976 40 30 EHEBMM Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1[O-] ZINC000409093928 564009657 /nfs/dbraw/zinc/00/96/57/564009657.db2.gz BSRLVHBKRPXOIQ-NDENLUEZSA-N -1 1 330.815 3.941 40 30 EHEBMM [O-]c1cc(Cl)ccc1/N=C\c1ccc(N2CCOCC2)c(F)c1 ZINC000409140283 564010505 /nfs/dbraw/zinc/01/05/05/564010505.db2.gz RBMFZWFJRFNZBZ-JAIQZWGSSA-N -1 1 334.778 3.772 40 30 EHEBMM Cc1cc(Cl)c([O-])c(/C=N/c2ccc(CN3CCOCC3)cc2)c1 ZINC000022248216 202082170 /nfs/dbraw/zinc/08/21/70/202082170.db2.gz FZGBXUIKFUPPPY-CIAFOILYSA-N -1 1 344.842 3.937 40 30 EHEBMM CCOc1cc(/C=N\[O-])cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000216782644 535661647 /nfs/dbraw/zinc/66/16/47/535661647.db2.gz SMMOENYEJDNLNY-GRSHGNNSSA-N -1 1 349.770 3.775 40 30 EHEBMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000052410923 564128570 /nfs/dbraw/zinc/12/85/70/564128570.db2.gz UAULAESMAAKNJE-UHFFFAOYSA-N -1 1 335.450 3.774 40 30 EHEBMM Cc1cc(/C=N\[O-])cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000256053471 564134762 /nfs/dbraw/zinc/13/47/62/564134762.db2.gz RORJFIXJFDPGIY-MFOYZWKCSA-N -1 1 339.800 3.533 40 30 EHEBMM CCCCC[C@H](C/C=N/N(C)C)C([O-])(C(F)(F)F)C(F)(F)F ZINC000005783384 563550032 /nfs/dbraw/zinc/55/00/32/563550032.db2.gz DUQTZXKXIYNAQS-KTMXNEEYSA-N -1 1 336.320 3.976 40 30 EHEBMM Cc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000041214108 564128500 /nfs/dbraw/zinc/12/85/00/564128500.db2.gz IFHSZLSLNRLOHN-VXLYETTFSA-N -1 1 342.399 3.849 40 30 EHEBMM N#CC1=C2Nc3ccccc3N2C(=O)C(=N[N-]c2ccccc2F)C1=O ZINC000103891513 204089255 /nfs/dbraw/zinc/08/92/55/204089255.db2.gz CJOWPQVPMVYIOL-FCQUAONHSA-N -1 1 347.309 3.913 40 30 EHEBMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000005769908 564033131 /nfs/dbraw/zinc/03/31/31/564033131.db2.gz KNGIPNHFQALCFD-UHFFFAOYSA-N -1 1 327.192 3.666 40 30 EHEBMM N#CC1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000222985720 241586482 /nfs/dbraw/zinc/58/64/82/241586482.db2.gz PTBWYZINRQVDIM-UHFFFAOYSA-N -1 1 332.812 3.696 40 30 EHEBMM Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2[O-])n1 ZINC000036624720 525047208 /nfs/dbraw/zinc/04/72/08/525047208.db2.gz KYMBKWAZEOIIHI-ODLFYWEKSA-N -1 1 349.350 3.512 40 30 EHEBMM N#Cc1cc(F)c([N-]C(=O)c2nsc(Cl)c2Cl)cc1F ZINC000000806214 564034485 /nfs/dbraw/zinc/03/44/85/564034485.db2.gz KDBWSQRLCJVXFM-UHFFFAOYSA-N -1 1 334.134 3.852 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@@H](O)C[C@@H]1C(C)(C)CCC[C@]21C ZINC000005114386 201057457 /nfs/dbraw/zinc/05/74/57/201057457.db2.gz YVSUCPNWDPTGKM-ZBUHCNDUSA-N -1 1 332.440 3.500 40 30 EHEBMM O=S(=O)(Oc1ccc(/C=N/[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000409068788 564009407 /nfs/dbraw/zinc/00/94/07/564009407.db2.gz VRKRBRQEYOUYEX-LZYBPNLTSA-N -1 1 346.191 3.569 40 30 EHEBMM CC(=CC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1)c1ccccc1 ZINC000017422476 563844534 /nfs/dbraw/zinc/84/45/34/563844534.db2.gz QHGXJCQYAFKFJZ-GHYOEHOBSA-N -1 1 344.418 3.998 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C[C@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000068601949 563963271 /nfs/dbraw/zinc/96/32/71/563963271.db2.gz LHCTZBGPXAXLAE-FOPRYUNUSA-N -1 1 332.440 3.500 40 30 EHEBMM COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1[O-] ZINC000409250565 564011352 /nfs/dbraw/zinc/01/13/52/564011352.db2.gz XIPZBYABEQGXLX-NDENLUEZSA-N -1 1 346.814 3.641 40 30 EHEBMM [O-]c1ccc(/C=N/NCc2ccc(Cl)cc2)cc1Br ZINC000010118698 564127683 /nfs/dbraw/zinc/12/76/83/564127683.db2.gz PDILYNVMCWKMPH-GIJQJNRQSA-N -1 1 339.620 3.932 40 30 EHEBMM CC(C)Cc1csc(C(C#N)=N[N-]c2ccccc2[N+](=O)[O-])n1 ZINC000095117464 218281367 /nfs/dbraw/zinc/28/13/67/218281367.db2.gz MGICTLCYYFAZPA-CPNJWEJPSA-N -1 1 329.385 3.590 40 30 EHEBMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000026507841 518452643 /nfs/dbraw/zinc/45/26/43/518452643.db2.gz NLESWGDZOIHQFM-HMAPJEAMSA-N -1 1 334.379 3.707 40 30 EHEBMM COc1cc(/C=N\[O-])c(Br)cc1OCc1ccccc1 ZINC000013747585 563925659 /nfs/dbraw/zinc/92/56/59/563925659.db2.gz HMEUQDIDYJFNBI-MFOYZWKCSA-N -1 1 336.185 3.845 40 30 EHEBMM N#Cc1c(=O)[n-]c(=S)[nH]c1-c1ccc(OCc2ccccc2)cc1 ZINC000017070608 564116314 /nfs/dbraw/zinc/11/63/14/564116314.db2.gz HDDVNAUQQMDTFE-UHFFFAOYSA-N -1 1 335.388 3.962 40 30 EHEBMM CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000408740545 563639532 /nfs/dbraw/zinc/63/95/32/563639532.db2.gz LLBPSMKNZFYQAO-LANLRWRYSA-N -1 1 349.390 3.605 40 30 EHEBMM [O-]c1ccc(/C=N/c2ccc(F)cc2)cc1I ZINC000408904992 564007876 /nfs/dbraw/zinc/00/78/76/564007876.db2.gz RQLPVPQPIMULAZ-LZYBPNLTSA-N -1 1 341.123 3.887 40 30 EHEBMM O=S(=O)(Oc1c(Cl)cc(/C=N/[O-])cc1Cl)c1ccccc1 ZINC000409075178 564009415 /nfs/dbraw/zinc/00/94/15/564009415.db2.gz PHJQGUXLDFQYCQ-LZYBPNLTSA-N -1 1 346.191 3.569 40 30 EHEBMM O=C1Nc2cc([O-])c(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524607 564070794 /nfs/dbraw/zinc/07/07/94/564070794.db2.gz GZMDZAYFVCXHFM-CYBMUJFWSA-N -1 1 331.677 3.779 40 30 in-vitro EHEBMM N#CCCc1c(=O)[n-]c(N2CCc3ccccc32)nc1-c1ccccc1 ZINC000010342438 211167703 /nfs/dbraw/zinc/16/77/03/211167703.db2.gz JMNABVICFLXTOA-UHFFFAOYSA-N -1 1 342.402 3.587 40 30 EHEBMM Cc1ccc(O)c(/C(CC/C(=N\O)c2cc(O)ccc2C)=N/[O-])c1 ZINC000005541879 525331472 /nfs/dbraw/zinc/33/14/72/525331472.db2.gz GVNBBUTYEQIKQF-VQZJLROISA-N -1 1 328.368 3.552 40 30 EHEBMM N#CC1=C2Nc3ccccc3N2C(=O)C(=N[N-]c2ccccc2F)C1=O ZINC000102982400 219245920 /nfs/dbraw/zinc/24/59/20/219245920.db2.gz CJOWPQVPMVYIOL-GHVJWSGMSA-N -1 1 347.309 3.913 40 30 EHEBMM O=S(=O)([N-]c1ccccc1)c1ccccc1C#Cc1ccccc1 ZINC000001707718 564099109 /nfs/dbraw/zinc/09/91/09/564099109.db2.gz FVTQIRKCWGXXGI-UHFFFAOYSA-N -1 1 333.412 3.887 40 30 EHEBMM O=C(C=CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000408718147 563614379 /nfs/dbraw/zinc/61/43/79/563614379.db2.gz MLDLDTWBIGUEFG-AUYDJSIHSA-N -1 1 329.268 3.510 40 30 EHEBMM COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000408930761 564008076 /nfs/dbraw/zinc/00/80/76/564008076.db2.gz BSWLCGOKBXMRLM-UDWIEESQSA-N -1 1 346.814 3.641 40 30 EHEBMM CC(=NNc1nnc(SCc2ccc(C)cc2)[n-]1)c1ccccn1 ZINC000020367413 212123629 /nfs/dbraw/zinc/12/36/29/212123629.db2.gz JTRSJQXRWOLTNO-DEDYPNTBSA-N -1 1 338.440 3.637 40 30 EHEBMM C=CCOc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O ZINC000408529921 563414440 /nfs/dbraw/zinc/41/44/40/563414440.db2.gz JMPOOOPIWRVQDE-GDNBJRDFSA-N -1 1 327.430 3.893 40 30 EHEBMM CCCCC[C@@H](C/C=N\N(C)C)C([O-])(C(F)(F)F)C(F)(F)F ZINC000005783273 563550050 /nfs/dbraw/zinc/55/00/50/563550050.db2.gz DUQTZXKXIYNAQS-ZFKRWFGPSA-N -1 1 336.320 3.976 40 30 EHEBMM CCCOc1c(Br)cc(Br)cc1/C=N/[O-] ZINC000013747780 564020683 /nfs/dbraw/zinc/02/06/83/564020683.db2.gz QOQGCDXMPRZJLF-AWNIVKPZSA-N -1 1 337.011 3.809 40 30 EHEBMM COc1ccc(CN/N=C(\C)c2ccc([O-])c(Cl)c2)cc1OC ZINC000216058103 564033766 /nfs/dbraw/zinc/03/37/66/564033766.db2.gz IZNDWUHPQFMWSO-RGVLZGJSSA-N -1 1 334.803 3.577 40 30 EHEBMM O=C1Nc2c([O-])cc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524420 564070777 /nfs/dbraw/zinc/07/07/77/564070777.db2.gz OOVOMPCQLMFEDT-CYBMUJFWSA-N -1 1 331.677 3.779 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@@H]1O[C@@H]1[C@H]1C(C)(C)CCC[C@]21C ZINC000038167102 213203646 /nfs/dbraw/zinc/20/36/46/213203646.db2.gz CGTKPZXYFCCDFG-CGBFIWBNSA-N -1 1 330.424 3.517 40 30 EHEBMM CCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000408740543 563639553 /nfs/dbraw/zinc/63/95/53/563639553.db2.gz LLBPSMKNZFYQAO-KOMLCTQHSA-N -1 1 349.390 3.605 40 30 EHEBMM O=C(COc1cccc(/C=N\[O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552135 563469481 /nfs/dbraw/zinc/46/94/81/563469481.db2.gz OONBBWTYVGMLQA-LSCVHKIXSA-N -1 1 339.178 3.819 40 30 EHEBMM C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OCC)c1OCC ZINC000409349063 564011817 /nfs/dbraw/zinc/01/18/17/564011817.db2.gz UJOARCFPCPFYKW-UVTDQMKNSA-N -1 1 349.477 3.701 40 30 EHEBMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(C#N)o3)cc2)cc1 ZINC000216779402 241210104 /nfs/dbraw/zinc/21/01/04/241210104.db2.gz UZHQDOOVVUDHLT-UHFFFAOYSA-N -1 1 338.388 3.928 40 30 EHEBMM N#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)o1 ZINC000216779468 241210744 /nfs/dbraw/zinc/21/07/44/241210744.db2.gz BNMGIOYUWHCFGG-UHFFFAOYSA-N -1 1 342.351 3.758 40 30 EHEBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408739255 257889926 /nfs/dbraw/zinc/88/99/26/257889926.db2.gz AKDGANSAODUCOO-ZVCOJXFSSA-N -1 1 336.351 3.644 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000033368635 563915978 /nfs/dbraw/zinc/91/59/78/563915978.db2.gz YVSUCPNWDPTGKM-JGRMJRGVSA-N -1 1 332.440 3.500 40 30 biogenic,in-vitro EHEBMM O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000001245856 209720010 /nfs/dbraw/zinc/72/00/10/209720010.db2.gz UVEZPFRCKIJTKH-YVLHZVERSA-N -1 1 330.413 3.569 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000005114383 210391386 /nfs/dbraw/zinc/39/13/86/210391386.db2.gz YVSUCPNWDPTGKM-PVUDRZGPSA-N -1 1 332.440 3.500 40 30 EHEBMM O=[N+]([O-])c1ccc(Oc2ccc(/C=N/[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000409076458 564009438 /nfs/dbraw/zinc/00/94/38/564009438.db2.gz BFIMDYLYTWUBRG-VIZOYTHASA-N -1 1 337.675 3.757 40 30 EHEBMM CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1[O-] ZINC000007155126 564015373 /nfs/dbraw/zinc/01/53/73/564015373.db2.gz PGVRGRMQHLEPJQ-UHFFFAOYSA-N -1 1 328.751 3.907 40 30 EHEBMM Cc1n[n-]c(=S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000017649482 564127967 /nfs/dbraw/zinc/12/79/67/564127967.db2.gz VIUAHIXUGRFJFQ-VXLYETTFSA-N -1 1 342.399 3.849 40 30 EHEBMM CC(=CC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1)c1ccccc1 ZINC000008649209 563634229 /nfs/dbraw/zinc/63/42/29/563634229.db2.gz QHGXJCQYAFKFJZ-KHELSUBGSA-N -1 1 344.418 3.998 40 30 EHEBMM CCCCCCCCCCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000102241499 219192049 /nfs/dbraw/zinc/19/20/49/219192049.db2.gz UNLIMFUTQHZTKY-UHFFFAOYSA-N -1 1 335.492 3.598 40 30 EHEBMM C=CCn1c([C@H](CC(C)C)NC(=O)c2cccs2)n[n-]c1=S ZINC000038536898 213213945 /nfs/dbraw/zinc/21/39/45/213213945.db2.gz OVCACJXKQIQFNX-NSHDSACASA-N -1 1 336.486 3.705 40 30 EHEBMM Cc1cc(I)ccc1-c1ccc(/C=N/[O-])o1 ZINC000216768449 241210184 /nfs/dbraw/zinc/21/01/84/241210184.db2.gz NBLQQVKSOVNWAN-VGOFMYFVSA-N -1 1 327.121 3.668 40 30 EHEBMM Cc1cc(Cl)c([O-])c(/C=N/c2ccccc2N2CCOCC2)c1 ZINC000032115184 563913583 /nfs/dbraw/zinc/91/35/83/563913583.db2.gz QXHQQGPESFCXDE-UDWIEESQSA-N -1 1 330.815 3.941 40 30 EHEBMM [O-]c1ccc(/C=N/c2cccc(F)c2)cc1I ZINC000408964795 564008350 /nfs/dbraw/zinc/00/83/50/564008350.db2.gz SFSHTZSJOSRCAC-LZYBPNLTSA-N -1 1 341.123 3.887 40 30 EHEBMM O=C1Nc2cc([O-])c(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524609 564070770 /nfs/dbraw/zinc/07/07/70/564070770.db2.gz GZMDZAYFVCXHFM-ZDUSSCGKSA-N -1 1 331.677 3.779 40 30 in-vitro EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000006023123 564087258 /nfs/dbraw/zinc/08/72/58/564087258.db2.gz LHCTZBGPXAXLAE-CCMJGWDWSA-N -1 1 332.440 3.500 40 30 EHEBMM C=CCn1c([C@@H](CC(C)C)NC(=O)c2cccs2)n[n-]c1=S ZINC000038536899 213213289 /nfs/dbraw/zinc/21/32/89/213213289.db2.gz OVCACJXKQIQFNX-LLVKDONJSA-N -1 1 336.486 3.705 40 30 EHEBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408739254 563639573 /nfs/dbraw/zinc/63/95/73/563639573.db2.gz AKDGANSAODUCOO-YDDPGSGASA-N -1 1 336.351 3.644 40 30 EHEBMM C=CCOc1c(Br)cc(Br)cc1/C=N/[O-] ZINC000013747785 564020660 /nfs/dbraw/zinc/02/06/60/564020660.db2.gz HLFBLJNJRALNAW-AWNIVKPZSA-N -1 1 334.995 3.585 40 30 EHEBMM CC(C)C1=C([O-])C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C ZINC000059364564 564087887 /nfs/dbraw/zinc/08/78/87/564087887.db2.gz YVSUCPNWDPTGKM-HTGLOVNISA-N -1 1 332.440 3.500 40 30 EHEBMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CC)c2)c1 ZINC000223686300 563986149 /nfs/dbraw/zinc/98/61/49/563986149.db2.gz QJRMLOUXDJKMTO-UHFFFAOYSA-N -1 1 347.436 3.623 40 30 EHEBMM COc1ccc(/N=C/c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000006181806 564014494 /nfs/dbraw/zinc/01/44/94/564014494.db2.gz SZNJLRPBCBZJIM-RQZCQDPDSA-N -1 1 336.185 3.923 40 30 EHEBMM O=C1Nc2c([O-])cc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524414 564070785 /nfs/dbraw/zinc/07/07/85/564070785.db2.gz OOVOMPCQLMFEDT-ZDUSSCGKSA-N -1 1 331.677 3.779 40 30 in-vitro EHEBMM CCCCCCCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(O)cc1 ZINC000102933641 219242338 /nfs/dbraw/zinc/24/23/38/219242338.db2.gz GXUJXYGRSDWILG-XLNRJJMWSA-N -1 1 342.443 3.961 40 30 EHEBMM CCCCC[C@@H](C/C=N/N(C)C)C([O-])(C(F)(F)F)C(F)(F)F ZINC000005783268 563550105 /nfs/dbraw/zinc/55/01/05/563550105.db2.gz DUQTZXKXIYNAQS-YPZZKDGISA-N -1 1 336.320 3.976 40 30 EHEBMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000020925689 520180681 /nfs/dbraw/zinc/18/06/81/520180681.db2.gz GMVINSXURQUDPA-HMMYKYKNSA-N -1 1 328.368 3.628 40 30 EHEBMM N#CCCN(CCC#N)c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000008666363 526456449 /nfs/dbraw/zinc/45/64/49/526456449.db2.gz YFYBUQFLYHSAPN-SDNWHVSQSA-N -1 1 342.449 3.649 40 30 EHEBMM [O-]c1ccc(/C=N/NCc2ccccc2Cl)cc1Br ZINC000008811307 564127583 /nfs/dbraw/zinc/12/75/83/564127583.db2.gz VPDQMVMOIMVNJU-CAOOACKPSA-N -1 1 339.620 3.932 40 30 EHEBMM