smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COC(=O)c1ccc([O-])cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009766410 1069991787 /nfs/dbraw/zinc/99/17/87/1069991787.db2.gz KRMZNOQJVIHSFR-UHFFFAOYSA-N -1 3 462.480 0.853 20 0 JCADHM COC(=O)C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(OC)c(OC)c1 ZINC000009977035 1069507888 /nfs/dbraw/zinc/50/78/88/1069507888.db2.gz KNCFJQZYGLGNQU-GFCCVEGCSA-N -1 3 470.276 0.737 20 0 JCADHM COC(=O)C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(OC)c(OC)c1 ZINC000009977036 1069507907 /nfs/dbraw/zinc/50/79/07/1069507907.db2.gz KNCFJQZYGLGNQU-LBPRGKRZSA-N -1 3 470.276 0.737 20 0 JCADHM CC(=O)c1ccc(N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)c(F)c1 ZINC000009979361 1070002719 /nfs/dbraw/zinc/00/27/19/1070002719.db2.gz XXRUFWWOJIOPIH-UHFFFAOYSA-N -1 3 453.268 0.990 20 0 JCADHM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1C ZINC000010037617 1069712099 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20 0 JCADHM COc1ccc(CNC(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1OC ZINC000011269356 1070074525 /nfs/dbraw/zinc/07/45/25/1070074525.db2.gz PJPQVUSGBLANKY-CYBMUJFWSA-N -1 3 455.489 0.835 20 0 JCADHM Cn1c(=O)cc(COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n(C)c1=O ZINC000011394383 1070080248 /nfs/dbraw/zinc/08/02/48/1070080248.db2.gz CTRXCMAJXUARFP-UHFFFAOYSA-N -1 3 450.300 0.803 20 0 JCADHM Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)cc1 ZINC000011553853 1069220666 /nfs/dbraw/zinc/22/06/66/1069220666.db2.gz UBFZQHFYOAFNTE-UHFFFAOYSA-N -1 3 485.360 0.577 20 0 JCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012729896 1069275355 /nfs/dbraw/zinc/27/53/55/1069275355.db2.gz KFSAGMNHOUZDJS-UHFFFAOYSA-N -1 3 493.286 0.110 20 0 JCADHM CCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1S(=O)(=O)N(C)C ZINC000012748730 1069275150 /nfs/dbraw/zinc/27/51/50/1069275150.db2.gz CEYIQYROVAIALY-UHFFFAOYSA-N -1 3 475.321 0.587 20 0 JCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012775493 1069479828 /nfs/dbraw/zinc/47/98/28/1069479828.db2.gz MIQXMVZCMHKGQO-UHFFFAOYSA-N -1 3 479.287 0.905 20 0 JCADHM CS(=O)(=O)CC[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)N1CCCC1=O ZINC000012960128 1070143446 /nfs/dbraw/zinc/14/34/46/1070143446.db2.gz PUAAMKYHIBEKNJ-LRFDDAOPSA-N -1 3 472.541 0.072 20 0 JCADHM CS(=O)(=O)CC[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)N1CCCC1=O ZINC000012960133 1070143345 /nfs/dbraw/zinc/14/33/45/1070143345.db2.gz PUAAMKYHIBEKNJ-WQMJKPAKSA-N -1 3 472.541 0.072 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012989395 1070144465 /nfs/dbraw/zinc/14/44/65/1070144465.db2.gz HCGCMWKZUMSZOO-UHFFFAOYSA-N -1 3 497.551 0.875 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000012989440 1070144106 /nfs/dbraw/zinc/14/41/06/1070144106.db2.gz WVGCZRMPPXNNMO-UHFFFAOYSA-N -1 3 497.551 0.875 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012990317 1070144048 /nfs/dbraw/zinc/14/40/48/1070144048.db2.gz HADPXHWXLGFVFZ-UHFFFAOYSA-N -1 3 455.514 0.221 20 0 JCADHM Cn1c(=O)c(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000012990548 1070144335 /nfs/dbraw/zinc/14/43/35/1070144335.db2.gz UTBDNCDXQWFFJG-UHFFFAOYSA-N -1 3 486.506 0.589 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012990719 1070144145 /nfs/dbraw/zinc/14/41/45/1070144145.db2.gz GYIPVCLTOFCLGR-UHFFFAOYSA-N -1 3 481.552 0.748 20 0 JCADHM CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(=O)n(C)c1=O ZINC000012990871 1070144372 /nfs/dbraw/zinc/14/43/72/1070144372.db2.gz RCOZTBVDOOPMJH-UHFFFAOYSA-N -1 3 452.489 0.196 20 0 JCADHM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C2=O ZINC000012991454 1070144284 /nfs/dbraw/zinc/14/42/84/1070144284.db2.gz FQVDDSCOAJEJGH-UHFFFAOYSA-N -1 3 452.489 0.747 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000012992378 1070144441 /nfs/dbraw/zinc/14/44/41/1070144441.db2.gz ZPLQBEZYZLZSMM-UHFFFAOYSA-N -1 3 499.542 0.887 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000012992384 1070144218 /nfs/dbraw/zinc/14/42/18/1070144218.db2.gz WSBYAQWEXFMTPK-UHFFFAOYSA-N -1 3 495.579 0.889 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012992489 1070144396 /nfs/dbraw/zinc/14/43/96/1070144396.db2.gz VKHCURAYBPZXIZ-UHFFFAOYSA-N -1 3 499.542 0.887 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012992491 1070144425 /nfs/dbraw/zinc/14/44/25/1070144425.db2.gz PVSUERSBEMUZQI-UHFFFAOYSA-N -1 3 499.542 0.887 20 0 JCADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000013045839 1070145298 /nfs/dbraw/zinc/14/52/98/1070145298.db2.gz IGSYZFPCJULSBK-ZDUSSCGKSA-N -1 3 469.541 0.610 20 0 JCADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000013045842 1070145256 /nfs/dbraw/zinc/14/52/56/1070145256.db2.gz IGSYZFPCJULSBK-CYBMUJFWSA-N -1 3 469.541 0.610 20 0 JCADHM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013046081 1070145232 /nfs/dbraw/zinc/14/52/32/1070145232.db2.gz MAKYEQDKKXEHJG-GFCCVEGCSA-N -1 3 467.525 0.840 20 0 JCADHM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013046083 1070145333 /nfs/dbraw/zinc/14/53/33/1070145333.db2.gz MAKYEQDKKXEHJG-LBPRGKRZSA-N -1 3 467.525 0.840 20 0 JCADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000013046086 1070145350 /nfs/dbraw/zinc/14/53/50/1070145350.db2.gz FPIWMVNFDRBHRU-UHFFFAOYSA-N -1 3 453.498 0.452 20 0 JCADHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000013100169 1070736911 /nfs/dbraw/zinc/73/69/11/1070736911.db2.gz GXPWQJYRYVBQEX-NRFANRHFSA-N -1 3 458.496 0.820 20 0 JCADHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000013100170 1070736894 /nfs/dbraw/zinc/73/68/94/1070736894.db2.gz GXPWQJYRYVBQEX-OAQYLSRUSA-N -1 3 458.496 0.820 20 0 JCADHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000013100229 1070736925 /nfs/dbraw/zinc/73/69/25/1070736925.db2.gz LTXGZWHRNAQDLB-NRFANRHFSA-N -1 3 458.496 0.820 20 0 JCADHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000013100230 1070736791 /nfs/dbraw/zinc/73/67/91/1070736791.db2.gz LTXGZWHRNAQDLB-OAQYLSRUSA-N -1 3 458.496 0.820 20 0 JCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000014142437 1070148892 /nfs/dbraw/zinc/14/88/92/1070148892.db2.gz VYLWPPCEORDFDR-UHFFFAOYSA-N -1 3 466.516 0.584 20 0 JCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014213625 1069547679 /nfs/dbraw/zinc/54/76/79/1069547679.db2.gz ORBSZNRRQNIINQ-UHFFFAOYSA-N -1 3 457.306 0.722 20 0 JCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000014318727 1069550955 /nfs/dbraw/zinc/55/09/55/1069550955.db2.gz PANRIONGLYTWQV-UHFFFAOYSA-N -1 3 488.570 0.957 20 0 JCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014342929 1069519227 /nfs/dbraw/zinc/51/92/27/1069519227.db2.gz YMPJGYCMXOMSDF-UHFFFAOYSA-N -1 3 491.751 0.486 20 0 JCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000014345442 1069519253 /nfs/dbraw/zinc/51/92/53/1069519253.db2.gz FMZCROSAGMJNBF-UHFFFAOYSA-N -1 3 491.751 0.486 20 0 JCADHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)cc1C ZINC000014345623 1069519170 /nfs/dbraw/zinc/51/91/70/1069519170.db2.gz CRIXHYJXEYXUFO-UHFFFAOYSA-N -1 3 485.360 0.449 20 0 JCADHM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)cc1 ZINC000014369197 1069519816 /nfs/dbraw/zinc/51/98/16/1069519816.db2.gz MJYVZJDCINYZFJ-UHFFFAOYSA-N -1 3 499.387 0.956 20 0 JCADHM 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O=C(NCc1cccnc1)[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185577456 1069010825 /nfs/dbraw/zinc/01/08/25/1069010825.db2.gz XZFLFMQIILLILZ-WIYYLYMNSA-N -1 3 469.527 0.748 20 0 JCADHM O=C([C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCOCC2)N1CCOCC1 ZINC001185577481 1069011176 /nfs/dbraw/zinc/01/11/76/1069011176.db2.gz YNWCOVDLMKGKEB-KRWDZBQOSA-N -1 3 462.532 0.143 20 0 JCADHM O=C([C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCOCC2)N1CCOCC1 ZINC001185577481 1069011161 /nfs/dbraw/zinc/01/11/61/1069011161.db2.gz YNWCOVDLMKGKEB-KRWDZBQOSA-N -1 3 462.532 0.143 20 0 JCADHM O=C([C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC12CCOCC2)N1CCOCC1 ZINC001185577482 1069011255 /nfs/dbraw/zinc/01/12/55/1069011255.db2.gz YNWCOVDLMKGKEB-QGZVFWFLSA-N -1 3 462.532 0.143 20 0 JCADHM O=C([C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC12CCOCC2)N1CCOCC1 ZINC001185577482 1069011245 /nfs/dbraw/zinc/01/12/45/1069011245.db2.gz YNWCOVDLMKGKEB-QGZVFWFLSA-N -1 3 462.532 0.143 20 0 JCADHM O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC001185577518 1069011141 /nfs/dbraw/zinc/01/11/41/1069011141.db2.gz ZWJHNWGWMQYNGD-KURKYZTESA-N -1 3 462.532 0.330 20 0 JCADHM O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC001185577518 1069011128 /nfs/dbraw/zinc/01/11/28/1069011128.db2.gz ZWJHNWGWMQYNGD-KURKYZTESA-N -1 3 462.532 0.330 20 0 JCADHM CN(C)C(=O)COCc1ncn2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001185578140 1069010864 /nfs/dbraw/zinc/01/08/64/1069010864.db2.gz AJTQKGWGAVYZIF-UHFFFAOYSA-N -1 3 460.520 0.263 20 0 JCADHM CN(C)C(=O)COCc1ncn2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001185578140 1069010856 /nfs/dbraw/zinc/01/08/56/1069010856.db2.gz AJTQKGWGAVYZIF-UHFFFAOYSA-N -1 3 460.520 0.263 20 0 JCADHM O=c1cc(Cn2ccnc2)nc2n1CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578146 1069011096 /nfs/dbraw/zinc/01/10/96/1069011096.db2.gz APGRVFPYTQGMRA-UHFFFAOYSA-N -1 3 453.488 0.263 20 0 JCADHM O=c1cc(Cn2ccnc2)nc2n1CCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578146 1069011085 /nfs/dbraw/zinc/01/10/85/1069011085.db2.gz APGRVFPYTQGMRA-UHFFFAOYSA-N -1 3 453.488 0.263 20 0 JCADHM CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578147 1069011015 /nfs/dbraw/zinc/01/10/15/1069011015.db2.gz AUDAIZYGNDFQGJ-DNVCBOLYSA-N -1 3 450.521 0.284 20 0 JCADHM CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578147 1069011005 /nfs/dbraw/zinc/01/10/05/1069011005.db2.gz AUDAIZYGNDFQGJ-DNVCBOLYSA-N -1 3 450.521 0.284 20 0 JCADHM O=C(COC[C@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1)N1CCCC1 ZINC001185578356 1069010896 /nfs/dbraw/zinc/01/08/96/1069010896.db2.gz FXIHZMYTIGDQLQ-BHIYHBOVSA-N -1 3 476.559 0.816 20 0 JCADHM O=C(COC[C@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1)N1CCCC1 ZINC001185578356 1069010886 /nfs/dbraw/zinc/01/08/86/1069010886.db2.gz FXIHZMYTIGDQLQ-BHIYHBOVSA-N -1 3 476.559 0.816 20 0 JCADHM 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469.527 0.860 20 0 JCADHM O=C(COC[C@H]1Cn2ccnc2CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCCC1 ZINC001185578391 1069010729 /nfs/dbraw/zinc/01/07/29/1069010729.db2.gz HHOLWENYRRFEAE-INIZCTEOSA-N -1 3 486.558 0.523 20 0 JCADHM O=C(COC[C@H]1Cn2ccnc2CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCCC1 ZINC001185578391 1069010723 /nfs/dbraw/zinc/01/07/23/1069010723.db2.gz HHOLWENYRRFEAE-INIZCTEOSA-N -1 3 486.558 0.523 20 0 JCADHM O=C(COC[C@@H]1Cn2ccnc2CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCCC1 ZINC001185578392 1069010768 /nfs/dbraw/zinc/01/07/68/1069010768.db2.gz HHOLWENYRRFEAE-MRXNPFEDSA-N -1 3 486.558 0.523 20 0 JCADHM O=C(COC[C@@H]1Cn2ccnc2CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCCC1 ZINC001185578392 1069010757 /nfs/dbraw/zinc/01/07/57/1069010757.db2.gz HHOLWENYRRFEAE-MRXNPFEDSA-N -1 3 486.558 0.523 20 0 JCADHM O=C(NCCc1cccs1)[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578399 1069010958 /nfs/dbraw/zinc/01/09/58/1069010958.db2.gz HOODVPJLULXICZ-FOIQADDNSA-N -1 3 474.568 0.924 20 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Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185578538 1069012174 /nfs/dbraw/zinc/01/21/74/1069012174.db2.gz IYQLVYILBRCZAI-FQEVSTJZSA-N -1 3 456.532 0.894 20 0 JCADHM Cc1nc(N(C)C)nc2c1COC[C@]21CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185578539 1069011983 /nfs/dbraw/zinc/01/19/83/1069011983.db2.gz IYQLVYILBRCZAI-HXUWFJFHSA-N -1 3 456.532 0.894 20 0 JCADHM Cc1nc(N(C)C)nc2c1COC[C@]21CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185578539 1069011968 /nfs/dbraw/zinc/01/19/68/1069011968.db2.gz IYQLVYILBRCZAI-HXUWFJFHSA-N -1 3 456.532 0.894 20 0 JCADHM O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578553 1069011793 /nfs/dbraw/zinc/01/17/93/1069011793.db2.gz JFNNGWKTSKCQQG-XMSQKQJNSA-N -1 3 468.539 0.863 20 0 JCADHM O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578553 1069011783 /nfs/dbraw/zinc/01/17/83/1069011783.db2.gz JFNNGWKTSKCQQG-XMSQKQJNSA-N -1 3 468.539 0.863 20 0 JCADHM 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O=C1CO[C@]2(CN1c1ccsc1)COCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578613 1069011724 /nfs/dbraw/zinc/01/17/24/1069011724.db2.gz LHWBVDDWNTVOCE-LJQANCHMSA-N -1 3 476.540 0.751 20 0 JCADHM Cc1ccc(N2CCO[C@@H]3CN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)CC[C@@H]3C2)nn1 ZINC001185578619 1069011640 /nfs/dbraw/zinc/01/16/40/1069011640.db2.gz LLIYUCCAGCPZPB-SJLPKXTDSA-N -1 3 456.532 0.881 20 0 JCADHM Cc1ccc(N2CCO[C@@H]3CN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)CC[C@@H]3C2)nn1 ZINC001185578619 1069011637 /nfs/dbraw/zinc/01/16/37/1069011637.db2.gz LLIYUCCAGCPZPB-SJLPKXTDSA-N -1 3 456.532 0.881 20 0 JCADHM O=C1CO[C@@]2(CN1c1ccccc1)COCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578626 1069012942 /nfs/dbraw/zinc/01/29/42/1069012942.db2.gz LULMQGXDBKEVJF-NRFANRHFSA-N -1 3 470.511 0.690 20 0 JCADHM O=C1CO[C@@]2(CN1c1ccccc1)COCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578626 1069012936 /nfs/dbraw/zinc/01/29/36/1069012936.db2.gz LULMQGXDBKEVJF-NRFANRHFSA-N -1 3 470.511 0.690 20 0 JCADHM O=C1CO[C@]2(CN1c1ccccc1)COCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185578627 1069012818 /nfs/dbraw/zinc/01/28/18/1069012818.db2.gz LULMQGXDBKEVJF-OAQYLSRUSA-N -1 3 470.511 0.690 20 0 JCADHM O=C1CO[C@]2(CN1c1ccccc1)COCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185578627 1069012812 /nfs/dbraw/zinc/01/28/12/1069012812.db2.gz LULMQGXDBKEVJF-OAQYLSRUSA-N -1 3 470.511 0.690 20 0 JCADHM O=C(N[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001185578736 1069012833 /nfs/dbraw/zinc/01/28/33/1069012833.db2.gz MEOCCZGPUZJPED-SQNIBIBYSA-N -1 3 455.500 0.612 20 0 JCADHM O=C(N[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC001185578736 1069012829 /nfs/dbraw/zinc/01/28/29/1069012829.db2.gz MEOCCZGPUZJPED-SQNIBIBYSA-N -1 3 455.500 0.612 20 0 JCADHM CC(C)CCN1C[C@@]23CN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001185578750 1069012678 /nfs/dbraw/zinc/01/26/78/1069012678.db2.gz MSUIICYPFDIPMH-HHXXYDBFSA-N -1 3 482.588 0.459 20 0 JCADHM CC(C)CCN1C[C@@]23CN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001185578750 1069012670 /nfs/dbraw/zinc/01/26/70/1069012670.db2.gz MSUIICYPFDIPMH-HHXXYDBFSA-N -1 3 482.588 0.459 20 0 JCADHM O=C(N[C@H]1CCO[C@]2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1)c1cnccn1 ZINC001185578755 1069012896 /nfs/dbraw/zinc/01/28/96/1069012896.db2.gz MYLVSADPGSPPKV-MGPUTAFESA-N -1 3 470.515 0.399 20 0 JCADHM O=C(N[C@H]1CCO[C@]2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1)c1cnccn1 ZINC001185578755 1069012889 /nfs/dbraw/zinc/01/28/89/1069012889.db2.gz MYLVSADPGSPPKV-MGPUTAFESA-N -1 3 470.515 0.399 20 0 JCADHM Cn1ccc(CN2CCOCC23CCN(S(=O)(=O)c2ccc(-c4nn[n-]n4)cc2)CC3)n1 ZINC001185578765 1069012846 /nfs/dbraw/zinc/01/28/46/1069012846.db2.gz NLGWINZMBPYOMB-UHFFFAOYSA-N -1 3 458.548 0.656 20 0 JCADHM Cn1ccc(CN2CCOCC23CCN(S(=O)(=O)c2ccc(-c4nnn[n-]4)cc2)CC3)n1 ZINC001185578765 1069012843 /nfs/dbraw/zinc/01/28/43/1069012843.db2.gz NLGWINZMBPYOMB-UHFFFAOYSA-N -1 3 458.548 0.656 20 0 JCADHM O=C(N[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001185578776 1069012643 /nfs/dbraw/zinc/01/26/43/1069012643.db2.gz NUFPQKRDTBKTSP-BPUTZDHNSA-N -1 3 461.529 0.674 20 0 JCADHM O=C(N[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001185578776 1069012626 /nfs/dbraw/zinc/01/26/26/1069012626.db2.gz NUFPQKRDTBKTSP-BPUTZDHNSA-N -1 3 461.529 0.674 20 0 JCADHM Cc1cccc(N2C[C@]3(COCCN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C3)OCC2=O)c1 ZINC001185578795 1069012718 /nfs/dbraw/zinc/01/27/18/1069012718.db2.gz ORBCLXBPKKFOQO-JOCHJYFZSA-N -1 3 484.538 0.998 20 0 JCADHM Cc1cccc(N2C[C@]3(COCCN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C3)OCC2=O)c1 ZINC001185578795 1069012705 /nfs/dbraw/zinc/01/27/05/1069012705.db2.gz ORBCLXBPKKFOQO-JOCHJYFZSA-N -1 3 484.538 0.998 20 0 JCADHM Cc1cccc(N2C[C@@]3(COCCN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C3)OCC2=O)c1 ZINC001185578796 1069012802 /nfs/dbraw/zinc/01/28/02/1069012802.db2.gz ORBCLXBPKKFOQO-QFIPXVFZSA-N -1 3 484.538 0.998 20 0 JCADHM Cc1cccc(N2C[C@@]3(COCCN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C3)OCC2=O)c1 ZINC001185578796 1069012797 /nfs/dbraw/zinc/01/27/97/1069012797.db2.gz ORBCLXBPKKFOQO-QFIPXVFZSA-N -1 3 484.538 0.998 20 0 JCADHM O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]2OCC[C@H]21 ZINC001185578812 1069012965 /nfs/dbraw/zinc/01/29/65/1069012965.db2.gz OWZBXDJYWQIJKE-GBESFXJTSA-N -1 3 469.527 0.604 20 0 JCADHM O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]2OCC[C@H]21 ZINC001185578812 1069012956 /nfs/dbraw/zinc/01/29/56/1069012956.db2.gz OWZBXDJYWQIJKE-GBESFXJTSA-N -1 3 469.527 0.604 20 0 JCADHM O=C(c1cnccn1)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185578946 1069012924 /nfs/dbraw/zinc/01/29/24/1069012924.db2.gz PVBMXTNZSUOTMJ-UHFFFAOYSA-N -1 3 454.516 0.974 20 0 JCADHM O=C(c1cnccn1)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185578946 1069012917 /nfs/dbraw/zinc/01/29/17/1069012917.db2.gz PVBMXTNZSUOTMJ-UHFFFAOYSA-N -1 3 454.516 0.974 20 0 JCADHM CC(C)CN1C[C@@]23CN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001185578947 1069012749 /nfs/dbraw/zinc/01/27/49/1069012749.db2.gz PWIIFPOCGODGAR-UWWQBHOKSA-N -1 3 468.561 0.069 20 0 JCADHM CC(C)CN1C[C@@]23CN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001185578947 1069012744 /nfs/dbraw/zinc/01/27/44/1069012744.db2.gz PWIIFPOCGODGAR-UWWQBHOKSA-N -1 3 468.561 0.069 20 0 JCADHM O=C(N[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001185578972 1069012782 /nfs/dbraw/zinc/01/27/82/1069012782.db2.gz RFCJEQMRXQOOGM-IKGGRYGDSA-N -1 3 456.488 0.007 20 0 JCADHM O=C(N[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001185578972 1069012772 /nfs/dbraw/zinc/01/27/72/1069012772.db2.gz RFCJEQMRXQOOGM-IKGGRYGDSA-N -1 3 456.488 0.007 20 0 JCADHM O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21)c1ccnnc1 ZINC001185578978 1069012862 /nfs/dbraw/zinc/01/28/62/1069012862.db2.gz RNAYMEIBMXFCIP-RYQLBKOJSA-N -1 3 470.515 0.112 20 0 JCADHM O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]21)c1ccnnc1 ZINC001185578978 1069012858 /nfs/dbraw/zinc/01/28/58/1069012858.db2.gz RNAYMEIBMXFCIP-RYQLBKOJSA-N -1 3 470.515 0.112 20 0 JCADHM O=C(CO[C@H]1CO[C@@]2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1)N1CCCC1 ZINC001185578980 1069012595 /nfs/dbraw/zinc/01/25/95/1069012595.db2.gz RTCQJOMMKGJWMG-UZLBHIALSA-N -1 3 462.532 0.428 20 0 JCADHM O=C(CO[C@H]1CO[C@@]2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1)N1CCCC1 ZINC001185578980 1069012579 /nfs/dbraw/zinc/01/25/79/1069012579.db2.gz RTCQJOMMKGJWMG-UZLBHIALSA-N -1 3 462.532 0.428 20 0 JCADHM COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185579001 1069012538 /nfs/dbraw/zinc/01/25/38/1069012538.db2.gz SEHIXRPMPYVJEZ-INIZCTEOSA-N -1 3 496.615 0.851 20 0 JCADHM COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185579001 1069012525 /nfs/dbraw/zinc/01/25/25/1069012525.db2.gz SEHIXRPMPYVJEZ-INIZCTEOSA-N -1 3 496.615 0.851 20 0 JCADHM COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185579002 1069012877 /nfs/dbraw/zinc/01/28/77/1069012877.db2.gz SEHIXRPMPYVJEZ-MRXNPFEDSA-N -1 3 496.615 0.851 20 0 JCADHM COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185579002 1069012872 /nfs/dbraw/zinc/01/28/72/1069012872.db2.gz SEHIXRPMPYVJEZ-MRXNPFEDSA-N -1 3 496.615 0.851 20 0 JCADHM O=C(c1cnccn1)N1CCC[C@]2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001185579009 1069013421 /nfs/dbraw/zinc/01/34/21/1069013421.db2.gz SJONXFLMWOFSLM-FQEVSTJZSA-N -1 3 454.516 0.974 20 0 JCADHM O=C(c1cnccn1)N1CCC[C@]2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001185579009 1069013413 /nfs/dbraw/zinc/01/34/13/1069013413.db2.gz SJONXFLMWOFSLM-FQEVSTJZSA-N -1 3 454.516 0.974 20 0 JCADHM O=C(c1cnccn1)N1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001185579010 1069013842 /nfs/dbraw/zinc/01/38/42/1069013842.db2.gz 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0.285 20 0 JCADHM O=C([C@@H]1C[C@@]2(CO1)CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2)N1CCOCC1 ZINC001185581797 1069015655 /nfs/dbraw/zinc/01/56/55/1069015655.db2.gz CCRHXGNAJMUONL-PXNSSMCTSA-N -1 3 462.532 0.285 20 0 JCADHM O=C([C@@H]1C[C@@]2(CO1)CCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2)N1CCOCC1 ZINC001185581797 1069015643 /nfs/dbraw/zinc/01/56/43/1069015643.db2.gz CCRHXGNAJMUONL-PXNSSMCTSA-N -1 3 462.532 0.285 20 0 JCADHM O=C([C@H]1C[C@@]2(CO1)CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2)N1CCOCC1 ZINC001185581798 1069015554 /nfs/dbraw/zinc/01/55/54/1069015554.db2.gz CCRHXGNAJMUONL-XLIONFOSSA-N -1 3 462.532 0.285 20 0 JCADHM O=C([C@H]1C[C@@]2(CO1)CCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2)N1CCOCC1 ZINC001185581798 1069015541 /nfs/dbraw/zinc/01/55/41/1069015541.db2.gz CCRHXGNAJMUONL-XLIONFOSSA-N -1 3 462.532 0.285 20 0 JCADHM O=C([C@H]1C[C@]2(CO1)CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2)N1CCOCC1 ZINC001185581799 1069015686 /nfs/dbraw/zinc/01/56/86/1069015686.db2.gz CCRHXGNAJMUONL-YLJYHZDGSA-N -1 3 462.532 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20 0 JCADHM O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21)c1ccco1 ZINC001185581808 1069015273 /nfs/dbraw/zinc/01/52/73/1069015273.db2.gz CKIALBCYRSSSOW-QILLFSRXSA-N -1 3 458.500 0.915 20 0 JCADHM O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]21)c1ccco1 ZINC001185581808 1069015260 /nfs/dbraw/zinc/01/52/60/1069015260.db2.gz CKIALBCYRSSSOW-QILLFSRXSA-N -1 3 458.500 0.915 20 0 JCADHM Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CCN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C[C@@H]32)cn1 ZINC001185581816 1069015205 /nfs/dbraw/zinc/01/52/05/1069015205.db2.gz CTBGNLZHLNWDKR-JCGIZDLHSA-N -1 3 472.531 0.056 20 0 JCADHM Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CCN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C[C@@H]32)cn1 ZINC001185581816 1069015190 /nfs/dbraw/zinc/01/51/90/1069015190.db2.gz CTBGNLZHLNWDKR-JCGIZDLHSA-N -1 3 472.531 0.056 20 0 JCADHM Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21 ZINC001185582458 1069015510 /nfs/dbraw/zinc/01/55/10/1069015510.db2.gz 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HYTJZQHSCKEDIH-UHFFFAOYSA-N -1 3 469.527 0.958 20 0 JCADHM O=C([C@@H]1CO[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1)N1CCCCO1 ZINC001185582560 1069015590 /nfs/dbraw/zinc/01/55/90/1069015590.db2.gz IOLOMCNDLWNQQS-XYJFISCASA-N -1 3 462.532 0.836 20 0 JCADHM O=C([C@@H]1CO[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1)N1CCCCO1 ZINC001185582560 1069015583 /nfs/dbraw/zinc/01/55/83/1069015583.db2.gz IOLOMCNDLWNQQS-XYJFISCASA-N -1 3 462.532 0.836 20 0 JCADHM O=C(CC1CC1)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001185582599 1069016465 /nfs/dbraw/zinc/01/64/65/1069016465.db2.gz JBSBOFSWBNODTA-UHFFFAOYSA-N -1 3 484.542 0.434 20 0 JCADHM O=C(CC1CC1)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001185582599 1069016450 /nfs/dbraw/zinc/01/64/50/1069016450.db2.gz JBSBOFSWBNODTA-UHFFFAOYSA-N -1 3 484.542 0.434 20 0 JCADHM O=C(N[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]2CCCO[C@H]12)c1ccno1 ZINC001185582620 1069016103 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/nfs/dbraw/zinc/01/66/71/1069016671.db2.gz MYSIGHVMAWVUDI-UHFFFAOYSA-N -1 3 484.542 0.434 20 0 JCADHM O=C(NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2)C1CC1 ZINC001185583768 1069016371 /nfs/dbraw/zinc/01/63/71/1069016371.db2.gz OCGIXVRGGJCVNE-UHFFFAOYSA-N -1 3 470.515 0.044 20 0 JCADHM O=C(NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2)C1CC1 ZINC001185583768 1069016352 /nfs/dbraw/zinc/01/63/52/1069016352.db2.gz OCGIXVRGGJCVNE-UHFFFAOYSA-N -1 3 470.515 0.044 20 0 JCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@]2(CCCC(=O)N2)C1 ZINC001185583772 1069016595 /nfs/dbraw/zinc/01/65/95/1069016595.db2.gz ODALXHSHPDQZFM-FQEVSTJZSA-N -1 3 461.548 0.395 20 0 JCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@]2(CCCC(=O)N2)C1 ZINC001185583772 1069016580 /nfs/dbraw/zinc/01/65/80/1069016580.db2.gz ODALXHSHPDQZFM-FQEVSTJZSA-N -1 3 461.548 0.395 20 0 JCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001185583775 1069015878 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Cc1cc(=O)oc2cc(NC(=O)[C@H](CO)NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001185641460 1069018124 /nfs/dbraw/zinc/01/81/24/1069018124.db2.gz CCLNJCPRQJUWBG-INIZCTEOSA-N -1 3 470.467 0.559 20 0 JCADHM CSCC[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001185641506 1069017537 /nfs/dbraw/zinc/01/75/37/1069017537.db2.gz CVAJLQXOTIPVBO-GJZGRUSLSA-N -1 3 469.593 0.283 20 0 JCADHM CSCC[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001185641506 1069017525 /nfs/dbraw/zinc/01/75/25/1069017525.db2.gz CVAJLQXOTIPVBO-GJZGRUSLSA-N -1 3 469.593 0.283 20 0 JCADHM COc1ccc(CN2C[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2=O)c(OC)c1 ZINC001185641578 1069017752 /nfs/dbraw/zinc/01/77/52/1069017752.db2.gz FCTQNOPXFDVWBA-HNNXBMFYSA-N -1 3 458.500 0.963 20 0 JCADHM COc1ccc(CN2C[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2=O)c(OC)c1 ZINC001185641578 1069017736 /nfs/dbraw/zinc/01/77/36/1069017736.db2.gz FCTQNOPXFDVWBA-HNNXBMFYSA-N -1 3 458.500 0.963 20 0 JCADHM Cc1cc(=O)oc2cc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[C@@H](C)O)ccc12 ZINC001185641877 1069018005 /nfs/dbraw/zinc/01/80/05/1069018005.db2.gz HICOQCMTZQEACA-BLVKFPJESA-N -1 3 484.494 0.948 20 0 JCADHM Cc1cc(=O)oc2cc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[C@@H](C)O)ccc12 ZINC001185641877 1069017986 /nfs/dbraw/zinc/01/79/86/1069017986.db2.gz HICOQCMTZQEACA-BLVKFPJESA-N -1 3 484.494 0.948 20 0 JCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641911 1069017819 /nfs/dbraw/zinc/01/78/19/1069017819.db2.gz IXJDXAPCKPTIPL-DZGCQCFKSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641911 1069017802 /nfs/dbraw/zinc/01/78/02/1069017802.db2.gz IXJDXAPCKPTIPL-DZGCQCFKSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641912 1069017623 /nfs/dbraw/zinc/01/76/23/1069017623.db2.gz IXJDXAPCKPTIPL-HIFRSBDPSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641912 1069017608 /nfs/dbraw/zinc/01/76/08/1069017608.db2.gz IXJDXAPCKPTIPL-HIFRSBDPSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641913 1069017870 /nfs/dbraw/zinc/01/78/70/1069017870.db2.gz IXJDXAPCKPTIPL-UKRRQHHQSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641913 1069017851 /nfs/dbraw/zinc/01/78/51/1069017851.db2.gz IXJDXAPCKPTIPL-UKRRQHHQSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641914 1069017581 /nfs/dbraw/zinc/01/75/81/1069017581.db2.gz IXJDXAPCKPTIPL-ZFWWWQNUSA-N -1 3 466.520 0.944 20 0 JCADHM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001185641914 1069017568 /nfs/dbraw/zinc/01/75/68/1069017568.db2.gz IXJDXAPCKPTIPL-ZFWWWQNUSA-N -1 3 466.520 0.944 20 0 JCADHM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001185642030 1069017712 /nfs/dbraw/zinc/01/77/12/1069017712.db2.gz LWTRMGCLHCYONM-HOTGVXAUSA-N -1 3 451.553 0.576 20 0 JCADHM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001185642030 1069017700 /nfs/dbraw/zinc/01/77/00/1069017700.db2.gz LWTRMGCLHCYONM-HOTGVXAUSA-N -1 3 451.553 0.576 20 0 JCADHM CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001185642371 1069017933 /nfs/dbraw/zinc/01/79/33/1069017933.db2.gz NWUARFDXKMJGNH-MSOLQXFVSA-N -1 3 487.542 0.088 20 0 JCADHM CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001185642371 1069017925 /nfs/dbraw/zinc/01/79/25/1069017925.db2.gz NWUARFDXKMJGNH-MSOLQXFVSA-N -1 3 487.542 0.088 20 0 JCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001185642433 1069018057 /nfs/dbraw/zinc/01/80/57/1069018057.db2.gz RPVAKLVTCBRSOS-ROUUACIJSA-N -1 3 471.543 0.382 20 0 JCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001185642433 1069018045 /nfs/dbraw/zinc/01/80/45/1069018045.db2.gz RPVAKLVTCBRSOS-ROUUACIJSA-N -1 3 471.543 0.382 20 0 JCADHM Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001185642799 1069018104 /nfs/dbraw/zinc/01/81/04/1069018104.db2.gz VQCWHFKAVIJJRR-UHFFFAOYSA-N -1 3 497.493 0.315 20 0 JCADHM Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001185642799 1069018097 /nfs/dbraw/zinc/01/80/97/1069018097.db2.gz VQCWHFKAVIJJRR-UHFFFAOYSA-N -1 3 497.493 0.315 20 0 JCADHM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001185643161 1069017665 /nfs/dbraw/zinc/01/76/65/1069017665.db2.gz YMIXWHLMZATBQR-OALUTQOASA-N -1 3 485.570 0.773 20 0 JCADHM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001185643161 1069017656 /nfs/dbraw/zinc/01/76/56/1069017656.db2.gz YMIXWHLMZATBQR-OALUTQOASA-N -1 3 485.570 0.773 20 0 JCADHM COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185653591 1069018367 /nfs/dbraw/zinc/01/83/67/1069018367.db2.gz GYBRRTYLIVFACA-KRWDZBQOSA-N -1 3 468.495 0.460 20 0 JCADHM COC[C@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185653597 1069018739 /nfs/dbraw/zinc/01/87/39/1069018739.db2.gz GYBRRTYLIVFACA-QGZVFWFLSA-N -1 3 468.495 0.460 20 0 JCADHM CC(C)n1nc(CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c2nccs2)c2c1CNCC2 ZINC001185654879 1069019092 /nfs/dbraw/zinc/01/90/92/1069019092.db2.gz SRTQMGZREQOGEQ-UHFFFAOYSA-N -1 3 470.496 0.648 20 0 JCADHM COc1ccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc1OCCCN1CCN(C)CC1 ZINC001185660938 1069023531 /nfs/dbraw/zinc/02/35/31/1069023531.db2.gz AIWURQNYSQGUAJ-UHFFFAOYSA-N -1 3 472.483 0.199 20 0 JCADHM CN(C)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001185662191 1069023972 /nfs/dbraw/zinc/02/39/72/1069023972.db2.gz PVOJOLPBFBJIAI-AWEZNQCLSA-N -1 3 464.504 0.325 20 0 JCADHM CN(C)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001185662192 1069024040 /nfs/dbraw/zinc/02/40/40/1069024040.db2.gz PVOJOLPBFBJIAI-CQSZACIVSA-N -1 3 464.504 0.325 20 0 JCADHM CN(CC(=O)N([C@H](c1ccccc1)[C@H](N)c1ccccc1)S(C)(=O)=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667652 1069025014 /nfs/dbraw/zinc/02/50/14/1069025014.db2.gz OQJISXZNJXFTPE-QZTJIDSGSA-N -1 3 483.487 0.765 20 0 JCADHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)C(C)C ZINC001185671340 1069024912 /nfs/dbraw/zinc/02/49/12/1069024912.db2.gz MKYRDSFXATWWIP-STQMWFEESA-N -1 3 452.464 0.898 20 0 JCADHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC[N-]C(=O)C(F)(F)Br)C(C)C ZINC001185685756 1069022705 /nfs/dbraw/zinc/02/27/05/1069022705.db2.gz ZIWGUCOXMVFKLQ-QWRGUYRKSA-N -1 3 471.299 0.578 20 0 JCADHM CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2 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