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)(C)OC(=O)N1CC[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]2C1 ZINC000076727853 500595653 /nfs/dbraw/zinc/59/56/53/500595653.db2.gz CYJKTZMTUVOTHR-IJLUTSLNSA-N -1 0 283.368 2.744 40 0 CFABRM CCOc1nn(C)c2ccc(S[C@H](C)C(=O)[O-])cc12 ZINC000225774335 521626941 /nfs/dbraw/zinc/62/69/41/521626941.db2.gz MUIBAOAMQHZITI-MRVPVSSYSA-N -1 0 280.349 2.537 40 0 CFABRM Cc1cccc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000095749060 185025591 /nfs/dbraw/zinc/02/55/91/185025591.db2.gz ZITPKYFBYMKXHT-ZDUSSCGKSA-N -1 0 293.363 2.906 40 0 CFABRM CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1F)C(=O)[O-] ZINC000095749080 185025877 /nfs/dbraw/zinc/02/58/77/185025877.db2.gz QFXYXMWIFSVJSE-LBPRGKRZSA-N -1 0 297.326 2.736 40 0 CFABRM CC(C)Oc1ccc(CC(=O)[O-])cc1Br ZINC000083229582 178362596 /nfs/dbraw/zinc/36/25/96/178362596.db2.gz DFDOZWNAMRDCNC-UHFFFAOYSA-N -1 0 273.126 2.863 40 0 CFABRM CCOc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1OCC ZINC000083182097 178350538 /nfs/dbraw/zinc/35/05/38/178350538.db2.gz JMUMJPHIDBJWNL-UHFFFAOYSA-N -1 0 290.319 2.583 40 0 CFABRM Cc1cccc(-c2nc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC000008730827 346224676 /nfs/dbraw/zinc/22/46/76/346224676.db2.gz AYRZANZQMYDBIH-UHFFFAOYSA-N -1 0 279.299 2.941 40 0 CFABRM O=C([O-])c1ccc(CNc2cc(Cl)ccc2O)o1 ZINC000008729676 346224823 /nfs/dbraw/zinc/22/48/23/346224823.db2.gz ZRLQNJPNNNNMDU-UHFFFAOYSA-N -1 0 267.668 2.949 40 0 CFABRM C[C@@H](C(=O)[O-])n1cc(-c2cccc(Cl)c2)cn1 ZINC000085391330 179048333 /nfs/dbraw/zinc/04/83/33/179048333.db2.gz CKPCCKCDYQBUGN-QMMMGPOBSA-N -1 0 250.685 2.849 40 0 CFABRM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000085394787 179049155 /nfs/dbraw/zinc/04/91/55/179049155.db2.gz ZQHOLRCVNFOYSQ-LDWIPMOCSA-N -1 0 275.087 2.682 40 0 CFABRM Cc1cc(C)c(-c2nc(N)sc2CC(=O)[O-])cc1C ZINC000085397374 179050111 /nfs/dbraw/zinc/05/01/11/179050111.db2.gz AWDHOXJRUVMQIS-UHFFFAOYSA-N -1 0 276.361 2.945 40 0 CFABRM CC(C)CN1C(=O)CCc2cc(SCC(=O)[O-])ccc21 ZINC000218791801 136583558 /nfs/dbraw/zinc/58/35/58/136583558.db2.gz NQILFCJLVZZMGN-UHFFFAOYSA-N -1 0 293.388 2.799 40 0 CFABRM CC(C)Cn1nc(-c2cccs2)cc1C(=O)[O-] ZINC000077605485 347202596 /nfs/dbraw/zinc/20/25/96/347202596.db2.gz HGCRWWJZJHFWBY-UHFFFAOYSA-N -1 0 250.323 2.966 40 0 CFABRM O=C([O-])c1ccn(Cc2cccc(Br)c2)c1 ZINC000085846332 347483200 /nfs/dbraw/zinc/48/32/00/347483200.db2.gz FGUDRWVYAPWKBQ-UHFFFAOYSA-N -1 0 280.121 2.997 40 0 CFABRM O=C([O-])c1cc(Cl)c(-c2cccc(F)c2)[nH]c1=O ZINC000096517596 347702265 /nfs/dbraw/zinc/70/22/65/347702265.db2.gz BDLVTPGCKRUVED-UHFFFAOYSA-N -1 0 267.643 2.533 40 0 CFABRM C[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000097759042 347710089 /nfs/dbraw/zinc/71/00/89/347710089.db2.gz ULVDOSKQPRWHKA-AAEUAGOBSA-N -1 0 277.320 2.508 40 0 CFABRM O=C([O-])Nc1ncc(CBr)cc1Cl ZINC000145757478 347943501 /nfs/dbraw/zinc/94/35/01/347943501.db2.gz UFTHMUYCCCDYEQ-UHFFFAOYSA-N -1 0 265.494 2.720 40 0 CFABRM O=C([O-])C[C@H](CC(=O)c1cccs1)C(F)(F)F ZINC000256049468 348305032 /nfs/dbraw/zinc/30/50/32/348305032.db2.gz ABHUGACLTSWRQN-LURJTMIESA-N -1 0 266.240 2.974 40 0 CFABRM O=C([O-])C[C@@H](CC(=O)c1cccs1)C(F)(F)F ZINC000256049469 348305122 /nfs/dbraw/zinc/30/51/22/348305122.db2.gz ABHUGACLTSWRQN-ZCFIWIBFSA-N -1 0 266.240 2.974 40 0 CFABRM COc1ccc(-c2cc(C(=O)[O-])c(Cl)nn2)cc1OC ZINC000409428046 348601226 /nfs/dbraw/zinc/60/12/26/348601226.db2.gz LHYSDQUFGOZLDM-UHFFFAOYSA-N -1 0 294.694 2.512 40 0 CFABRM CC(C)c1cc(-c2cccs2)nn1CC(=O)[O-] ZINC000409438322 348601890 /nfs/dbraw/zinc/60/18/90/348601890.db2.gz CTKYKNPMJGBYFS-UHFFFAOYSA-N -1 0 250.323 2.820 40 0 CFABRM O=C([O-])C1(c2ccccc2Br)CCOCC1 ZINC000055336236 304034929 /nfs/dbraw/zinc/03/49/29/304034929.db2.gz VNPJGUNVSVWKTE-UHFFFAOYSA-N -1 0 285.137 2.582 40 0 CFABRM O=C([O-])C1=C[C@@H]2O[C@H]1c1cccc(OC(F)(F)F)c12 ZINC000095611607 304035799 /nfs/dbraw/zinc/03/57/99/304035799.db2.gz UTUJFMQJEMNAMS-WPRPVWTQSA-N -1 0 272.178 2.722 40 0 CFABRM O=C([O-])CSc1ccccc1NC(=O)C1CCCC1 ZINC000008732950 304072956 /nfs/dbraw/zinc/07/29/56/304072956.db2.gz FAEBYYAYCBNUIX-UHFFFAOYSA-N -1 0 279.361 2.992 40 0 CFABRM O=C([O-])c1cnc(NC2CCC2)c(Br)c1 ZINC000252494424 540931436 /nfs/dbraw/zinc/93/14/36/540931436.db2.gz NUZJFTBQKGFCIF-UHFFFAOYSA-N -1 0 271.114 2.507 40 0 CFABRM COc1ccccc1O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000225054261 189743607 /nfs/dbraw/zinc/74/36/07/189743607.db2.gz VLWAUUIAOSLXPF-HNNXBMFYSA-N -1 0 290.290 2.909 40 0 CFABRM COC(=O)[C@@]1(C(=O)[O-])CC=C(C)C[C@@H]1c1ccc(F)cc1 ZINC000000038184 371514046 /nfs/dbraw/zinc/51/40/46/371514046.db2.gz GWPFHHJBPMLLPU-CJNGLKHVSA-N -1 0 292.306 2.893 40 0 CFABRM CC[C@@H](C)n1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21 ZINC000000108286 371532739 /nfs/dbraw/zinc/53/27/39/371532739.db2.gz SXTTULFGFHDIBZ-SEEODLKFSA-N -1 0 283.331 2.793 40 0 CFABRM CCOC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000000344555 371590709 /nfs/dbraw/zinc/59/07/09/371590709.db2.gz SPBBHNPLCWFTLK-UHFFFAOYSA-N -1 0 263.322 2.697 40 0 CFABRM O=C([O-])c1csc(NC(=O)OCc2ccccc2)n1 ZINC000001435959 371674642 /nfs/dbraw/zinc/67/46/42/371674642.db2.gz GBQVSGBBDIRHEM-UHFFFAOYSA-N -1 0 278.289 2.590 40 0 CFABRM Cc1ccc(C)c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000001740991 371705361 /nfs/dbraw/zinc/70/53/61/371705361.db2.gz FREVYUVULDVTFM-GJZGRUSLSA-N -1 0 289.375 2.811 40 0 CFABRM Cc1ccc(C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002505663 371729596 /nfs/dbraw/zinc/72/95/96/371729596.db2.gz JJPHGZYHLDUGOU-ZDUSSCGKSA-N -1 0 293.363 2.763 40 0 CFABRM O=C([O-])[C@]1(Cc2ccccc2)C[C@H](c2ccccc2)OC1=O ZINC000001597585 371685046 /nfs/dbraw/zinc/68/50/46/371685046.db2.gz FXGFQFISUNYCMZ-QAPCUYQASA-N -1 0 296.322 2.988 40 0 CFABRM [O-]C(=CC(O)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000001623483 371687823 /nfs/dbraw/zinc/68/78/23/371687823.db2.gz WMGJDROQJQOJOF-UHFFFAOYSA-N -1 0 276.132 2.708 40 0 CFABRM CCOC(=O)C1=C([O-])c2c(C)cc(C)c(OC)c2CC1 ZINC000001672585 371695680 /nfs/dbraw/zinc/69/56/80/371695680.db2.gz QXOMYMQTXSDKLV-GFCCVEGCSA-N -1 0 276.332 2.620 40 0 CFABRM CC1(C)[C@@H](C=C(Br)Br)[C@@H]1C(=O)[O-] ZINC000005765580 371887397 /nfs/dbraw/zinc/88/73/97/371887397.db2.gz MDIQXIJPQWLFSD-UJURSFKZSA-N -1 0 297.974 2.974 40 0 CFABRM COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000010776859 371914707 /nfs/dbraw/zinc/91/47/07/371914707.db2.gz ZZMLWIWISOLKDC-UHFFFAOYSA-N -1 0 285.299 2.575 40 0 CFABRM O=C([O-])c1cc(NC(=O)C2CCCCC2)ccc1O ZINC000011639112 371923435 /nfs/dbraw/zinc/92/34/35/371923435.db2.gz UXDNLNRHRJGTOI-UHFFFAOYSA-N -1 0 263.293 2.609 40 0 CFABRM CC(=O)c1cnc([N-]c2nc(C)c(C)s2)nc1C ZINC000014607517 372070816 /nfs/dbraw/zinc/07/08/16/372070816.db2.gz SSRWKHFSJCRZTN-UHFFFAOYSA-N -1 0 262.338 2.805 40 0 CFABRM CCOC(=O)CS/C(=C\c1ccc(F)cc1)C(=O)[O-] ZINC000015057116 372078258 /nfs/dbraw/zinc/07/82/58/372078258.db2.gz PJJFOFLOVWUCDQ-XFFZJAGNSA-N -1 0 284.308 2.548 40 0 CFABRM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2 ZINC000017162329 372129273 /nfs/dbraw/zinc/12/92/73/372129273.db2.gz WMZHOFCYUCOMRT-WAYWQWQTSA-N -1 0 295.294 2.543 40 0 CFABRM Cc1nn2c(c1-c1ccc(Cl)cc1)N=C([O-])CC2=O ZINC000022607120 372246791 /nfs/dbraw/zinc/24/67/91/372246791.db2.gz XFODSWDKJDSWTG-UHFFFAOYSA-N -1 0 275.695 2.769 40 0 CFABRM Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1C ZINC000026892231 372331012 /nfs/dbraw/zinc/33/10/12/372331012.db2.gz ZVFICTJHWOBARK-ZDUSSCGKSA-N -1 0 293.363 2.824 40 0 CFABRM CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C[C@H](C[C@@H]1C(=O)[O-])C2(C)C ZINC000032099075 372426396 /nfs/dbraw/zinc/42/63/96/372426396.db2.gz JPIQPRHGAXOYBG-NAKRPEOUSA-N -1 0 283.368 2.647 40 0 CFABRM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1cccs1 ZINC000033413957 372492100 /nfs/dbraw/zinc/49/21/00/372492100.db2.gz WPKSUTPJUIBQJU-NWDGAFQWSA-N -1 0 274.297 2.828 40 0 CFABRM O=C([O-])CCc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000037729237 372694563 /nfs/dbraw/zinc/69/45/63/372694563.db2.gz XHVMCVCVJZXJAA-UHFFFAOYSA-N -1 0 286.209 2.773 40 0 CFABRM CN(Cc1ccccc1)c1ccc(N)cc1C(=O)[O-] ZINC000037930419 372740272 /nfs/dbraw/zinc/74/02/72/372740272.db2.gz KSYAFXYGXVBRIG-UHFFFAOYSA-N -1 0 256.305 2.603 40 0 CFABRM O=C([O-])c1cnc(Cc2ccccc2)nc1N1CCCCC1 ZINC000049469193 373302229 /nfs/dbraw/zinc/30/22/29/373302229.db2.gz ZXTULTJRAPFALU-UHFFFAOYSA-N -1 0 297.358 2.756 40 0 CFABRM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1Cl ZINC000057974700 373621163 /nfs/dbraw/zinc/62/11/63/373621163.db2.gz AYMPIYPFMPJTFQ-GZMMTYOYSA-N -1 0 288.130 2.597 40 0 CFABRM O=C([O-])Cn1c(-c2nc(C3CC3)no2)cc2ccccc21 ZINC000070458842 374181890 /nfs/dbraw/zinc/18/18/90/374181890.db2.gz UDZCXXYFKGYEPF-UHFFFAOYSA-N -1 0 283.287 2.653 40 0 CFABRM CC(C)(C)OC(=O)N1CCCC[C@@H]1CSCC(=O)[O-] ZINC000079392093 374608269 /nfs/dbraw/zinc/60/82/69/374608269.db2.gz JLIZPZIQEGOPET-SNVBAGLBSA-N -1 0 289.397 2.594 40 0 CFABRM Cc1[nH]c(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)[O-] ZINC000089202859 374887101 /nfs/dbraw/zinc/88/71/01/374887101.db2.gz GYMIAEKZKVADAB-UHFFFAOYSA-N -1 0 286.209 2.982 40 0 CFABRM Cc1ccc(-c2c(CC(=O)[O-])sc3ncnn32)c(C)c1 ZINC000095095781 375414556 /nfs/dbraw/zinc/41/45/56/375414556.db2.gz XQTNYVJEWJUMMM-UHFFFAOYSA-N -1 0 287.344 2.702 40 0 CFABRM O=S(=O)([O-])c1cc(Br)cc2ccccc21 ZINC000098175555 375608672 /nfs/dbraw/zinc/60/86/72/375608672.db2.gz QBUNOYGITBRWHF-UHFFFAOYSA-N -1 0 287.134 2.849 40 0 CFABRM Cc1cn(C)c([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1 ZINC000257243097 190018195 /nfs/dbraw/zinc/01/81/95/190018195.db2.gz IFLMPXCQVHUPOV-OAHLLOKOSA-N -1 0 299.374 2.764 40 0 CFABRM Cc1c[nH]c([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000257314937 190032781 /nfs/dbraw/zinc/03/27/81/190032781.db2.gz UZFFMFIZIZSCFY-CQSZACIVSA-N -1 0 285.347 2.753 40 0 CFABRM Cn1c(SCC(=O)[O-])nnc1-c1ccc2ccccc2c1 ZINC000116937299 376218023 /nfs/dbraw/zinc/21/80/23/376218023.db2.gz QSNVZIGSKVRMSW-UHFFFAOYSA-N -1 0 299.355 2.812 40 0 CFABRM O=C([O-])[C@H]1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 ZINC000005733814 304203984 /nfs/dbraw/zinc/20/39/84/304203984.db2.gz SKIRPCITJNHUGK-HRCADAONSA-N -1 0 268.312 2.956 40 0 CFABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000006725319 304211098 /nfs/dbraw/zinc/21/10/98/304211098.db2.gz IEXCBTAXSOJEJO-VRKREXBASA-N -1 0 297.354 2.637 40 0 CFABRM CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)[O-])cc1 ZINC000138798386 378233993 /nfs/dbraw/zinc/23/39/93/378233993.db2.gz JTSDHUGTLYSYLS-UHFFFAOYSA-N -1 0 265.309 2.685 40 0 CFABRM O=C([O-])c1c(O)c2ccccc2nc1C(F)(F)F ZINC000075894948 304217811 /nfs/dbraw/zinc/21/78/11/304217811.db2.gz OSLXMVZJRDZVFZ-UHFFFAOYSA-N -1 0 257.167 2.657 40 0 CFABRM O=Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409176582 380955466 /nfs/dbraw/zinc/95/54/66/380955466.db2.gz ROYPFURSXSIFQF-UHFFFAOYSA-N -1 0 284.267 2.554 40 0 CFABRM Cc1cc(C(=O)[O-])ccc1NC(=S)NC(C)(C)C ZINC000408586605 380942772 /nfs/dbraw/zinc/94/27/72/380942772.db2.gz PGGVSZGCOHRTPW-UHFFFAOYSA-N -1 0 266.366 2.778 40 0 CFABRM CC[C@@H](C(=O)[O-])n1cc(Br)c(C(F)F)n1 ZINC000408716411 380946231 /nfs/dbraw/zinc/94/62/31/380946231.db2.gz MRKNSJWYXZOFNF-YFKPBYRVSA-N -1 0 283.072 2.619 40 0 CFABRM O=C([O-])[C@@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1 ZINC000408716793 380946348 /nfs/dbraw/zinc/94/63/48/380946348.db2.gz QYJLJZWFIPKZOS-VHSXEESVSA-N -1 0 260.211 2.816 40 0 CFABRM Cc1nc(-c2noc3ccccc32)sc1C(=O)[O-] ZINC000228973336 382849650 /nfs/dbraw/zinc/84/96/50/382849650.db2.gz JYTMMRKOKSKPQG-UHFFFAOYSA-N -1 0 260.274 2.958 40 0 CFABRM CCN(c1cc(Cl)ccc1OC)[C@@H](C)C(=O)[O-] ZINC000225002171 382812449 /nfs/dbraw/zinc/81/24/49/382812449.db2.gz ZAZZIQIEMHOUTB-QMMMGPOBSA-N -1 0 257.717 2.648 40 0 CFABRM CC[C@H](C)N(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[C@@H](C)CC ZINC000225706889 382820477 /nfs/dbraw/zinc/82/04/77/382820477.db2.gz WLIDIKLNUTUYIS-UJOWSUJOSA-N -1 0 293.407 2.935 40 0 CFABRM COc1ccc(/C=C/c2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000226100703 382824888 /nfs/dbraw/zinc/82/48/88/382824888.db2.gz NTHRCPSHFJAELR-VMPITWQZSA-N -1 0 270.288 2.662 40 0 CFABRM C[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)[C@H]1C(=O)[O-] ZINC000235399834 296380559 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176307679 /nfs/dbraw/zinc/30/76/79/176307679.db2.gz MINMLSCWPNTIEY-UHFFFAOYSA-N -1 0 268.272 2.840 40 0 CFABRM O=C([O-])C1=NN(c2cc(Cl)ccc2Cl)C(=O)C1 ZINC000076416266 177022073 /nfs/dbraw/zinc/02/20/73/177022073.db2.gz SFRNRYJYBDRZPB-UHFFFAOYSA-N -1 0 273.075 2.583 40 0 CFABRM O=C([O-])/C=C/c1cc(F)cc(I)c1 ZINC000083324725 260302522 /nfs/dbraw/zinc/30/25/22/260302522.db2.gz MXQOASLJVARSAJ-OWOJBTEDSA-N -1 0 292.047 2.528 40 0 CFABRM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000216308004 278404559 /nfs/dbraw/zinc/40/45/59/278404559.db2.gz FZQHRSMRHOQSOY-HTQZYQBOSA-N -1 0 297.273 2.507 40 0 CFABRM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000217737578 278441347 /nfs/dbraw/zinc/44/13/47/278441347.db2.gz KHOPNLVVWGGVKK-ABAIWWIYSA-N -1 0 295.310 2.661 40 0 CFABRM CC(C)(CNc1ccccc1Br)C(=O)[O-] ZINC000008702837 278622872 /nfs/dbraw/zinc/62/28/72/278622872.db2.gz POMDMXFUYTXAPS-UHFFFAOYSA-N -1 0 272.142 2.972 40 0 CFABRM 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304090406 /nfs/dbraw/zinc/09/04/06/304090406.db2.gz NXSRQFUFBMFUKV-UHFFFAOYSA-N -1 0 255.067 2.822 40 0 CFABRM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(F)s1 ZINC000225386688 189748667 /nfs/dbraw/zinc/74/86/67/189748667.db2.gz IIESKSLSGKMOGH-UHFFFAOYSA-N -1 0 275.301 2.827 40 0 CFABRM Cc1nc(NC(=O)c2ccccc2F)sc1C(=O)[O-] ZINC000000413088 371607985 /nfs/dbraw/zinc/60/79/85/371607985.db2.gz HHQRDTFZFVZRAY-UHFFFAOYSA-N -1 0 280.280 2.541 40 0 CFABRM O=C([O-])[C@@]1(Cc2ccccc2)C[C@H](c2ccccc2)OC1=O ZINC000001597586 371685267 /nfs/dbraw/zinc/68/52/67/371685267.db2.gz FXGFQFISUNYCMZ-CRAIPNDOSA-N -1 0 296.322 2.988 40 0 CFABRM COc1ccc([C@@H](O)[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000001593537 371685365 /nfs/dbraw/zinc/68/53/65/371685365.db2.gz ZKORVGGMPLOJNZ-WBVHZDCISA-N -1 0 286.327 2.771 40 0 CFABRM C[C@@](C(=O)[O-])(c1ccccc1)[C@H](O)c1ccccc1 ZINC000001672675 371694817 /nfs/dbraw/zinc/69/48/17/371694817.db2.gz HWKWBZDRLTZYGF-GDBMZVCRSA-N -1 0 256.301 2.763 40 0 CFABRM 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