smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)N1CCc2nc(N3CCc4ccccc4C3)[n-]c(=O)c2CC1 ZINC000169757025 864487569 /nfs/dbraw/zinc/48/75/69/864487569.db2.gz YYIUMBRYMVCTCE-UHFFFAOYSA-N -1 1 353.426 1.073 50 0 FDAAMM CC(C)(C(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000649460876 1010580023 /nfs/dbraw/zinc/58/00/23/1010580023.db2.gz RIWCCIYTNYFDFK-UHFFFAOYSA-N -1 1 367.203 1.961 50 0 FDAAMM CC(C)(C(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000649460876 1010580029 /nfs/dbraw/zinc/58/00/29/1010580029.db2.gz RIWCCIYTNYFDFK-UHFFFAOYSA-N -1 1 367.203 1.961 50 0 FDAAMM COc1cc(Cc2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)ccc1O ZINC000001427445 204007228 /nfs/dbraw/zinc/00/72/28/204007228.db2.gz OGCBIGOFBUQONP-CQSZACIVSA-N -1 1 354.362 1.838 50 0 FDAAMM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)c1 ZINC000006887403 204279825 /nfs/dbraw/zinc/27/98/25/204279825.db2.gz DTWIPAYYYAMZBV-UHFFFAOYSA-N -1 1 373.434 1.655 50 0 FDAAMM Cc1cc(C)n2nc(C[N-]S(=O)(=O)c3ccc(Cl)s3)nc2n1 ZINC000006808186 204273114 /nfs/dbraw/zinc/27/31/14/204273114.db2.gz CDUZLKULNSKUOX-UHFFFAOYSA-N -1 1 357.848 1.935 50 0 FDAAMM CS[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2[O-])CC1 ZINC000054115665 205197758 /nfs/dbraw/zinc/19/77/58/205197758.db2.gz ODXVMYROPZWBDT-LBPRGKRZSA-N -1 1 358.485 1.285 50 0 FDAAMM CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000058344538 205271826 /nfs/dbraw/zinc/27/18/26/205271826.db2.gz LYAHDZSSGSXVKQ-UHFFFAOYSA-N -1 1 370.247 1.049 50 0 FDAAMM CN1C(=O)[N-]C(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@H]32)C1=O ZINC000248030768 206127613 /nfs/dbraw/zinc/12/76/13/206127613.db2.gz KWLFSYNRWIXMLB-BLLLJJGKSA-N -1 1 367.327 1.925 50 0 FDAAMM Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)C12 ZINC000103508115 206235100 /nfs/dbraw/zinc/23/51/00/206235100.db2.gz QWJNWUDAYXXSQH-UKRRQHHQSA-N -1 1 358.785 1.983 50 0 FDAAMM COC(=O)C[C@H](c1cnn(C)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205970165 206337059 /nfs/dbraw/zinc/33/70/59/206337059.db2.gz IVLBOHHXIHNMQF-LLVKDONJSA-N -1 1 362.773 1.482 50 0 FDAAMM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(=O)[nH]c(=O)n(C(C)C)c1[O-] ZINC000020611218 206343103 /nfs/dbraw/zinc/34/31/03/206343103.db2.gz BOVKLGFQEVHRFW-INIZCTEOSA-N -1 1 370.409 1.548 50 0 biogenic FDAAMM COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])[nH]c(=O)n(C(C)C)c1=O ZINC000020611218 206343108 /nfs/dbraw/zinc/34/31/08/206343108.db2.gz BOVKLGFQEVHRFW-INIZCTEOSA-N -1 1 370.409 1.548 50 0 biogenic FDAAMM Cc1cccc2cc(/C=C3\NC(=S)[N-]C3=O)c(N3CCOCC3)nc12 ZINC000002285062 132383020 /nfs/dbraw/zinc/38/30/20/132383020.db2.gz YSDRTZYYGJXPBN-UVTDQMKNSA-N -1 1 354.435 1.725 50 0 FDAAMM O=C(c1ncccc1[O-])N1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072479202 136149603 /nfs/dbraw/zinc/14/96/03/136149603.db2.gz SDUCJCVQSSANPN-CQSZACIVSA-N -1 1 369.425 1.434 50 0 FDAAMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1 ZINC000001141822 518227540 /nfs/dbraw/zinc/22/75/40/518227540.db2.gz KZDATORYUQCDFU-UHFFFAOYSA-N -1 1 364.379 1.138 50 0 FDAAMM Cc1ccccc1Nc1nc(N)nc(CSc2nc(N)cc(=O)[n-]2)n1 ZINC000009712072 518513990 /nfs/dbraw/zinc/51/39/90/518513990.db2.gz JMBWOTRIXAFPBF-UHFFFAOYSA-N -1 1 356.415 1.464 50 0 FDAAMM CCOC(=O)COc1ccc(Br)cc1CN=Nc1nn[n-]n1 ZINC000015938686 518739005 /nfs/dbraw/zinc/73/90/05/518739005.db2.gz XBSDYLANMHFMEA-UHFFFAOYSA-N -1 1 369.179 1.350 50 0 FDAAMM O=C(NCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1Cl ZINC000022470310 518902182 /nfs/dbraw/zinc/90/21/82/518902182.db2.gz PBAZQQWYHWJUCP-UHFFFAOYSA-N -1 1 370.796 1.736 50 0 FDAAMM CSc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(=O)[n-]1 ZINC000022786267 518912399 /nfs/dbraw/zinc/91/23/99/518912399.db2.gz XERBDPRHUGOTPV-UHFFFAOYSA-N -1 1 374.466 1.951 50 0 FDAAMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc12 ZINC000022959402 518923876 /nfs/dbraw/zinc/92/38/76/518923876.db2.gz RXVYITWNAAGXRW-UHFFFAOYSA-N -1 1 371.422 1.596 50 0 FDAAMM CC(C)(C(=O)N1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1)n1cccc1 ZINC000071639033 522118691 /nfs/dbraw/zinc/11/86/91/522118691.db2.gz RXXIATFCCASQPY-UHFFFAOYSA-N -1 1 363.421 1.953 50 0 FDAAMM COCC1(C(=O)N2CCc3c(=O)[n-]c(-c4ccccn4)nc3C2)CCC1 ZINC000071750825 522122954 /nfs/dbraw/zinc/12/29/54/522122954.db2.gz BSEVXNRFSUAEQQ-UHFFFAOYSA-N -1 1 354.410 1.533 50 0 FDAAMM CCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC[C@H]21 ZINC000072429985 522266348 /nfs/dbraw/zinc/26/63/48/522266348.db2.gz WZQLNYZAYRZBDS-DZGCQCFKSA-N -1 1 358.442 1.510 50 0 FDAAMM CC(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](Cc3ccc(CC(=O)[O-])cc3)C2)CC1 ZINC000072474613 522295372 /nfs/dbraw/zinc/29/53/72/522295372.db2.gz NJICJAWEEZRSDN-QGZVFWFLSA-N -1 1 374.437 1.601 50 0 FDAAMM CCn1nc(C(=O)[O-])c2c1CC[C@H](NCc1nnnn1-c1ccccc1)C2 ZINC000067910170 523629112 /nfs/dbraw/zinc/62/91/12/523629112.db2.gz OUEJSRKNYHTNPP-LBPRGKRZSA-N -1 1 367.413 1.224 50 0 FDAAMM CCNC(=O)[C@H](C)NC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000091364624 524694880 /nfs/dbraw/zinc/69/48/80/524694880.db2.gz KOJWMSAFWSJTTM-ABROSTTOSA-N -1 1 372.469 1.492 50 0 FDAAMM CN(CC(=O)c1ccc([O-])cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095521877 525098496 /nfs/dbraw/zinc/09/84/96/525098496.db2.gz FQKSCCFIDDWIGW-MRXNPFEDSA-N -1 1 367.405 1.477 50 0 FDAAMM O=C([O-])[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC000096132737 525137240 /nfs/dbraw/zinc/13/72/40/525137240.db2.gz XTQJUSNVCSZCLB-HNNXBMFYSA-N -1 1 355.329 1.763 50 0 FDAAMM O=c1[nH]c([O-])c(C2=NN[C@H](c3cccs3)C2)c(=O)n1Cc1ccccc1 ZINC000101762500 525252092 /nfs/dbraw/zinc/25/20/92/525252092.db2.gz JWZBSLACWXRMPS-LBPRGKRZSA-N -1 1 368.418 1.791 50 0 FDAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2)c1 ZINC000101763358 525252609 /nfs/dbraw/zinc/25/26/09/525252609.db2.gz HONNARIPOCCKTR-JTQLQIEISA-N -1 1 362.411 1.604 50 0 FDAAMM Cc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)n1 ZINC000215887531 537443358 /nfs/dbraw/zinc/44/33/58/537443358.db2.gz SCADXYRYEFQXOM-OAHLLOKOSA-N -1 1 374.466 1.773 50 0 FDAAMM Cc1c(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)cnc2cc(=O)[n-]n21 ZINC000244678533 537649813 /nfs/dbraw/zinc/64/98/13/537649813.db2.gz IFLHXJDCAPLXNF-OHUAYANFSA-N -1 1 358.423 1.635 50 0 FDAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000046073982 570924317 /nfs/dbraw/zinc/92/43/17/570924317.db2.gz CRWGJNOIRQPJES-SECBINFHSA-N -1 1 374.422 1.955 50 0 FDAAMM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000426635269 571105535 /nfs/dbraw/zinc/10/55/35/571105535.db2.gz FZBJLZSQQKBMCS-LBPRGKRZSA-N -1 1 354.370 1.259 50 0 FDAAMM Cc1sc(-n2cnnn2)c(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1C ZINC000524732338 571258694 /nfs/dbraw/zinc/25/86/94/571258694.db2.gz PSTCFKNTWZBXML-UHFFFAOYSA-N -1 1 356.371 1.971 50 0 FDAAMM Cn1c([O-])c(C(=O)NNC(=O)c2cccc(Cl)c2)c(=O)c2ccccc21 ZINC000005447798 1000192576 /nfs/dbraw/zinc/19/25/76/1000192576.db2.gz UAGQQEVZQNQSHK-UHFFFAOYSA-N -1 1 371.780 1.972 50 0 FDAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CC1 ZINC000003394140 204097878 /nfs/dbraw/zinc/09/78/78/204097878.db2.gz CRLZXMYURUVPMA-UHFFFAOYSA-N -1 1 374.418 1.923 50 0 FDAAMM COc1ccc(-c2noc(CSc3nc(N)cc(=O)[n-]3)n2)cc1OC ZINC000004385868 204137524 /nfs/dbraw/zinc/13/75/24/204137524.db2.gz OZSHZEBOIYPSKN-UHFFFAOYSA-N -1 1 361.383 1.712 50 0 FDAAMM Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)n1 ZINC000005332517 204203516 /nfs/dbraw/zinc/20/35/16/204203516.db2.gz RUUCFQCUDZHBKH-SREVYHEPSA-N -1 1 362.367 1.165 50 0 FDAAMM CN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1=O ZINC000005077803 204190445 /nfs/dbraw/zinc/19/04/45/204190445.db2.gz WFKCBXBQLAZUCL-CYBMUJFWSA-N -1 1 373.434 1.904 50 0 FDAAMM CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1=O ZINC000005077805 204190743 /nfs/dbraw/zinc/19/07/43/204190743.db2.gz WFKCBXBQLAZUCL-ZDUSSCGKSA-N -1 1 373.434 1.904 50 0 FDAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c([C@H]2OC(=O)c3ccccc32)c1[O-] ZINC000005704423 204222476 /nfs/dbraw/zinc/22/24/76/204222476.db2.gz YVXSYQUIGRJIJC-HNNXBMFYSA-N -1 1 366.329 1.500 50 0 FDAAMM COCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000006267493 204242772 /nfs/dbraw/zinc/24/27/72/204242772.db2.gz HGTVRQSWMREQLF-UHFFFAOYSA-N -1 1 364.423 1.872 50 0 FDAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 ZINC000006913850 204281705 /nfs/dbraw/zinc/28/17/05/204281705.db2.gz LVWPKPGSTLPUTK-UHFFFAOYSA-N -1 1 373.434 1.655 50 0 FDAAMM Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000006938491 204282272 /nfs/dbraw/zinc/28/22/72/204282272.db2.gz FQDABDKMUQXTRD-UHFFFAOYSA-N -1 1 365.798 1.979 50 0 FDAAMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cn1 ZINC000007056595 204288325 /nfs/dbraw/zinc/28/83/25/204288325.db2.gz FSDQAOXNQBBPGI-UHFFFAOYSA-N -1 1 351.384 1.858 50 0 FDAAMM COc1ccc(CC2(CCc3ccncc3)C(=O)[N-]C(=O)NC2=O)cc1 ZINC000008744353 204342267 /nfs/dbraw/zinc/34/22/67/204342267.db2.gz UEQMBYUAPDZHPQ-UHFFFAOYSA-N -1 1 353.378 1.618 50 0 FDAAMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c(C)n1C ZINC000064922924 205310292 /nfs/dbraw/zinc/31/02/92/205310292.db2.gz OXSCMXUHCFAAEG-UHFFFAOYSA-N -1 1 368.411 1.938 50 0 FDAAMM CC(=O)N1CCC(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000065530451 205358468 /nfs/dbraw/zinc/35/84/68/205358468.db2.gz OKECPRIYRKQZJS-UHFFFAOYSA-N -1 1 365.484 1.796 50 0 FDAAMM C[C@H](C(=O)N1CCC(c2cc(CC(=O)[O-])[nH]n2)CC1)n1cc(Cl)cn1 ZINC000067541157 205375399 /nfs/dbraw/zinc/37/53/99/205375399.db2.gz KMYFCUSHAICVRX-SNVBAGLBSA-N -1 1 365.821 1.854 50 0 FDAAMM CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c1 ZINC000101492365 206227614 /nfs/dbraw/zinc/22/76/14/206227614.db2.gz QWIOOAFZQNUONL-UHFFFAOYSA-N -1 1 369.381 1.474 50 0 FDAAMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000012200098 206289006 /nfs/dbraw/zinc/28/90/06/206289006.db2.gz GNXPWHBBZZZIMB-UHFFFAOYSA-N -1 1 373.390 1.240 50 0 FDAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCCO ZINC000012896283 206297045 /nfs/dbraw/zinc/29/70/45/206297045.db2.gz PDFILCWFUPIVAD-UHFFFAOYSA-N -1 1 355.346 1.653 50 0 biogenic FDAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCCO ZINC000012896283 206297052 /nfs/dbraw/zinc/29/70/52/206297052.db2.gz PDFILCWFUPIVAD-UHFFFAOYSA-N -1 1 355.346 1.653 50 0 biogenic FDAAMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000014728863 206312521 /nfs/dbraw/zinc/31/25/21/206312521.db2.gz VPWXWIDZZQAETH-UHFFFAOYSA-N -1 1 351.338 1.956 50 0 FDAAMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCN(c2cnccn2)C[C@H]1O ZINC000244673762 132290515 /nfs/dbraw/zinc/29/05/15/132290515.db2.gz HVBWJPHTVHMRCZ-UKRRQHHQSA-N -1 1 362.817 1.134 50 0 FDAAMM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000072161095 136143285 /nfs/dbraw/zinc/14/32/85/136143285.db2.gz QSSDESFRDIAJNE-MRXNPFEDSA-N -1 1 355.442 1.542 50 0 FDAAMM Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)n1 ZINC000000860055 518222004 /nfs/dbraw/zinc/22/20/04/518222004.db2.gz DLZGGVMFHTYWQY-UHFFFAOYSA-N -1 1 364.383 1.389 50 0 FDAAMM Cc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009038629 518494932 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/nfs/dbraw/zinc/92/43/81/570924381.db2.gz CRWGJNOIRQPJES-VIFPVBQESA-N -1 1 374.422 1.955 50 0 FDAAMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000244899496 571119853 /nfs/dbraw/zinc/11/98/53/571119853.db2.gz ZKSSWUCYPRCMOL-ZDUSSCGKSA-N -1 1 361.442 1.902 50 0 FDAAMM CCn1nc(C)c(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(COC)n3)C2)c1C ZINC000253534891 571136559 /nfs/dbraw/zinc/13/65/59/571136559.db2.gz QZKWBUXEUBDHRF-BETUJISGSA-N -1 1 359.430 1.838 50 0 FDAAMM Cn1ncc2c1[n-]cc(C(=O)NCc1cccc(N3CCCC3=O)c1)c2=O ZINC000119155540 785060268 /nfs/dbraw/zinc/06/02/68/785060268.db2.gz DIKKVXLJZQBWTP-UHFFFAOYSA-N -1 1 365.393 1.731 50 0 FDAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013690210 220086833 /nfs/dbraw/zinc/08/68/33/220086833.db2.gz UNXDXBGHGPFFMU-UHFFFAOYSA-N -1 1 355.354 1.069 50 0 FDAAMM Cc1nnc2ccc(OCC[N-]S(=O)(=O)c3cc(F)ccc3F)nn12 ZINC000013846125 220098257 /nfs/dbraw/zinc/09/82/57/220098257.db2.gz INWAQUJPINZKOC-UHFFFAOYSA-N -1 1 369.353 1.068 50 0 FDAAMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)c1ccncc1 ZINC000022471629 211352346 /nfs/dbraw/zinc/35/23/46/211352346.db2.gz ACFXUOUANXOGEK-UHFFFAOYSA-N -1 1 365.393 1.210 50 0 FDAAMM O=C(c1cccs1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000020293725 211271998 /nfs/dbraw/zinc/27/19/98/211271998.db2.gz QMGPGSGWMDJLLM-UHFFFAOYSA-N -1 1 368.418 1.995 50 0 FDAAMM COC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000013494512 211036066 /nfs/dbraw/zinc/03/60/66/211036066.db2.gz QBLGRWTYFRDGFV-DHSIGJKJSA-N -1 1 362.382 1.361 50 0 FDAAMM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)N1CCOCC1 ZINC000002355864 210393834 /nfs/dbraw/zinc/39/38/34/210393834.db2.gz DFLUHUHYJXTGCY-OQLLNIDSSA-N -1 1 371.418 1.824 50 0 FDAAMM CC[C@H](C(=O)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1)n1cccn1 ZINC000071763116 221369006 /nfs/dbraw/zinc/36/90/06/221369006.db2.gz LYEFSVURLZPNBP-MRXNPFEDSA-N -1 1 364.409 1.564 50 0 FDAAMM C[C@@H](Cn1cccn1)C(=O)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1 ZINC000071763875 221371795 /nfs/dbraw/zinc/37/17/95/221371795.db2.gz RJEGBIDBXFBNGX-ZDUSSCGKSA-N -1 1 364.409 1.249 50 0 FDAAMM CCc1cc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)nc(N(C)C)n1 ZINC000095389435 132210374 /nfs/dbraw/zinc/21/03/74/132210374.db2.gz LASVHLCYFUMUKY-CYBMUJFWSA-N -1 1 361.446 1.007 50 0 FDAAMM Cc1cnn(C2(C(=O)[O-])CCN(c3[nH+]c4c(cc3C(=O)[O-])CCC4)CC2)c1 ZINC000072426290 136146513 /nfs/dbraw/zinc/14/65/13/136146513.db2.gz GTWFCKIHQVZLBT-UHFFFAOYSA-N -1 1 370.409 1.854 50 0 FDAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2)c1 ZINC000101763363 222284349 /nfs/dbraw/zinc/28/43/49/222284349.db2.gz HONNARIPOCCKTR-SNVBAGLBSA-N -1 1 362.411 1.604 50 0 FDAAMM COc1cccc([C@@H]2CNC(=O)c3nc(-c4cc(=O)[nH]cn4)[n-]c3C2)c1 ZINC000102457718 222298171 /nfs/dbraw/zinc/29/81/71/222298171.db2.gz JWMLHQYZSHOKLB-NSHDSACASA-N -1 1 351.366 1.651 50 0 FDAAMM COC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000004632238 518307520 /nfs/dbraw/zinc/30/75/20/518307520.db2.gz QBLGRWTYFRDGFV-JOQOYGCGSA-N -1 1 362.382 1.361 50 0 FDAAMM COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000004738527 518311129 /nfs/dbraw/zinc/31/11/29/518311129.db2.gz DKCQIJRZQYNLCI-IZZDOVSWSA-N -1 1 358.306 1.746 50 0 FDAAMM Cc1nc2[n-]cnn2c(=O)c1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000005492387 518346675 /nfs/dbraw/zinc/34/66/75/518346675.db2.gz BYRNOQVGQPCWKH-UHFFFAOYSA-N -1 1 359.411 1.818 50 0 FDAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(C)=O ZINC000006623261 518377825 /nfs/dbraw/zinc/37/78/25/518377825.db2.gz NLEZLVXWXCSXRV-UHFFFAOYSA-N -1 1 363.395 1.553 50 0 FDAAMM CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000006729495 518382228 /nfs/dbraw/zinc/38/22/28/518382228.db2.gz XUUWSBMKRCURTN-UHFFFAOYSA-N -1 1 373.434 1.600 50 0 FDAAMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007725807 518433403 /nfs/dbraw/zinc/43/34/03/518433403.db2.gz NDUTUMMQWMLKEA-UHFFFAOYSA-N -1 1 362.407 1.699 50 0 FDAAMM CCc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)COC)n1 ZINC000011854529 518574977 /nfs/dbraw/zinc/57/49/77/518574977.db2.gz JNEASYKTHYBLPJ-UHFFFAOYSA-N -1 1 359.411 1.831 50 0 FDAAMM CC(C)C(=O)Nc1nc2c(c(=O)[n-]1)N(C(=O)c1cccnc1)[C@@H](C)[C@H](C)N2 ZINC000018010312 518790805 /nfs/dbraw/zinc/79/08/05/518790805.db2.gz IQNMVFBOBKVYSC-QWRGUYRKSA-N -1 1 370.413 1.609 50 0 FDAAMM COc1ccc(OC)c(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)c1 ZINC000033324831 519584740 /nfs/dbraw/zinc/58/47/40/519584740.db2.gz KVLGINRBAYUIGQ-UHFFFAOYSA-N -1 1 361.383 1.807 50 0 FDAAMM O=C([O-])CCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072151773 522177285 /nfs/dbraw/zinc/17/72/85/522177285.db2.gz NHTQZQKHLYOCQP-JSNMRZPZSA-N -1 1 372.421 1.669 50 0 FDAAMM Nc1cc(=O)[n-]c(S[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n1 ZINC000072436801 522276265 /nfs/dbraw/zinc/27/62/65/522276265.db2.gz UGNNYAIHGRJPNM-IUODEOHRSA-N -1 1 360.439 1.481 50 0 FDAAMM Cc1nc2ccccc2n1CCC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)[O-] ZINC000072458717 522286309 /nfs/dbraw/zinc/28/63/09/522286309.db2.gz 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