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ZINC000529699856 439438829 /nfs/dbraw/zinc/43/88/29/439438829.db2.gz VUXJRXZSGRKIAH-UHFFFAOYSA-N -2 1 342.402 0.765 20 0 ECADML Cc1cc(C(=O)N2CC3(C2)CCCOC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000330241977 320812223 /nfs/dbraw/zinc/81/22/23/320812223.db2.gz FXQKLXWEKSNHBR-UHFFFAOYSA-N -2 1 330.344 0.997 20 0 ECADML Cn1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(=O)[O-] ZINC000347398450 321239206 /nfs/dbraw/zinc/23/92/06/321239206.db2.gz SGZYAWMXWGTXSF-UHFFFAOYSA-N -2 1 340.357 0.895 20 0 ECADML COC[C@@](C)([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000563955348 322355465 /nfs/dbraw/zinc/35/54/65/322355465.db2.gz FMEOZFMCDIITIM-SECBINFHSA-N -2 1 345.299 0.207 20 0 ECADML Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c(F)c1 ZINC000567692806 322593178 /nfs/dbraw/zinc/59/31/78/322593178.db2.gz DGPXRAXVSIJRIL-SECBINFHSA-N -2 1 336.316 0.270 20 0 ECADML CCC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000263237252 535706412 /nfs/dbraw/zinc/70/64/12/535706412.db2.gz SVWGEDINCXXQSU-LURJTMIESA-N -2 1 329.300 0.971 20 0 ECADML Cc1cc(C(=O)N[C@@H](C)c2nccn2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000620599984 546438368 /nfs/dbraw/zinc/43/83/68/546438368.db2.gz KYJILDTYMOSLOR-QMMMGPOBSA-N -2 1 328.332 0.969 20 0 ECADML CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)o1 ZINC000774920302 579259407 /nfs/dbraw/zinc/25/94/07/579259407.db2.gz XMLGCKOFPDBKOQ-UHFFFAOYSA-N -2 1 344.349 0.537 20 0 ECADML CCCSC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000776484864 579282334 /nfs/dbraw/zinc/28/23/34/579282334.db2.gz NTQBETIZNBOKQH-ZETCQYMHSA-N -2 1 341.842 0.948 20 0 ECADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(N(C)C(=O)[O-])CC2)o1 ZINC000738025027 579596368 /nfs/dbraw/zinc/59/63/68/579596368.db2.gz HVZWMHQBCAHHFG-UHFFFAOYSA-N -2 1 345.377 0.402 20 0 ECADML O=C([O-])C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000738564227 579639074 /nfs/dbraw/zinc/63/90/74/579639074.db2.gz SVHSFBBZXKECJJ-LBPRGKRZSA-N -2 1 331.328 0.259 20 0 ECADML CNC(=O)Cn1cc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cn1 ZINC000739750317 579709935 /nfs/dbraw/zinc/70/99/35/579709935.db2.gz SWOOXVIXRPXEDW-UHFFFAOYSA-N -2 1 333.304 0.677 20 0 ECADML CCN(CC)C(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000746165704 579831987 /nfs/dbraw/zinc/83/19/87/579831987.db2.gz SAMDFVBNHJIRKU-UHFFFAOYSA-N -2 1 333.348 0.343 20 0 ECADML CCCSC[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837287243 588947650 /nfs/dbraw/zinc/94/76/50/588947650.db2.gz VKFXEZOLOALVOB-ZCFIWIBFSA-N -2 1 327.815 0.938 20 0 ECADML C[C@@H](CSCC[N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000843295771 589059741 /nfs/dbraw/zinc/05/97/41/589059741.db2.gz NOYPXYVZNDDATL-ZETCQYMHSA-N -2 1 341.842 0.806 20 0 ECADML O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)COC1CC1 ZINC000902064948 586719545 /nfs/dbraw/zinc/71/95/45/586719545.db2.gz IZVKCIJGGHHUSJ-WPRPVWTQSA-N -2 1 338.282 0.288 20 0 ECADML O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000906004273 586927853 /nfs/dbraw/zinc/92/78/53/586927853.db2.gz FLSNMNCFRZDHMH-LURJTMIESA-N -2 1 327.131 0.545 20 0 ECADML CCC(=O)c1ccc([O-])c(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000812708999 587241710 /nfs/dbraw/zinc/24/17/10/587241710.db2.gz WIMWDPHUYFBQJQ-UHFFFAOYSA-N -2 1 331.328 0.864 20 0 ECADML C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824051648 587850918 /nfs/dbraw/zinc/85/09/18/587850918.db2.gz BDYBYSZWNMFQGW-ZCFIWIBFSA-N -2 1 329.313 0.099 20 0 ECADML C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824051648 587850919 /nfs/dbraw/zinc/85/09/19/587850919.db2.gz BDYBYSZWNMFQGW-ZCFIWIBFSA-N -2 1 329.313 0.099 20 0 ECADML CCC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c1 ZINC000825038586 587913426 /nfs/dbraw/zinc/91/34/26/587913426.db2.gz FYKCUDFJPYCCIN-UHFFFAOYSA-N -2 1 347.360 0.983 20 0 ECADML CCC[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)c1nn[n-]n1 ZINC000826745186 588081652 /nfs/dbraw/zinc/08/16/52/588081652.db2.gz VVDRLEZAZAUHAK-NXEZZACHSA-N -2 1 326.357 0.316 20 0 ECADML C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC[C@@H]2CNC(=O)[O-])o1 ZINC000828585272 588191432 /nfs/dbraw/zinc/19/14/32/588191432.db2.gz LOGRSJOBYDRDBH-BDAKNGLRSA-N -2 1 346.361 0.781 20 0 ECADML Cc1cc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000829909709 588347773 /nfs/dbraw/zinc/34/77/73/588347773.db2.gz YEQFZTDCIOKYNE-ZETCQYMHSA-N -3 1 335.320 0.473 20 0 ECADML Cc1cc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000829930578 588348590 /nfs/dbraw/zinc/34/85/90/588348590.db2.gz YEDRHMCZCAYOJT-QMMMGPOBSA-N -3 1 347.331 0.569 20 0 ECADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830785649 588385878 /nfs/dbraw/zinc/38/58/78/588385878.db2.gz QCMGSAPVIRBRAV-QMMMGPOBSA-N -2 1 335.364 0.914 20 0 ECADML COc1ccc(C(=O)[N-]C(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000832169864 588471469 /nfs/dbraw/zinc/47/14/69/588471469.db2.gz UIGZTHIWAXFMCS-CYBMUJFWSA-N -2 1 336.344 0.127 20 0 ECADML O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)n1 ZINC000832730500 588501899 /nfs/dbraw/zinc/50/18/99/588501899.db2.gz RWGFRGGTKOGMEW-UHFFFAOYSA-N -2 1 343.303 0.054 20 0 ECADML O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)n[nH]1 ZINC000832730500 588501900 /nfs/dbraw/zinc/50/19/00/588501900.db2.gz RWGFRGGTKOGMEW-UHFFFAOYSA-N -2 1 343.303 0.054 20 0 ECADML CC(C)(CO)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833461928 588542713 /nfs/dbraw/zinc/54/27/13/588542713.db2.gz MEUVFKDXBPPYQM-UHFFFAOYSA-N -2 1 333.344 0.293 20 0 ECADML O=C(COC(=O)[C@@H]1CCCN(C(=O)[O-])C1)[N-]C(=O)c1ccccc1 ZINC000834007419 588586431 /nfs/dbraw/zinc/58/64/31/588586431.db2.gz TZXHKDQBRQBULG-GFCCVEGCSA-N -2 1 334.328 0.876 20 0 ECADML CS[C@H](C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704312 589417092 /nfs/dbraw/zinc/41/70/92/589417092.db2.gz VGVPRDHDQJNSSG-BWZBUEFSSA-N -2 1 342.339 0.861 20 0 ECADML CCOC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852732746 589507856 /nfs/dbraw/zinc/50/78/56/589507856.db2.gz HWKQZQXUABNGOB-VXNVDRBHSA-N -2 1 326.271 0.146 20 0 ECADML 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