smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c(nnc2SCC(=O)[O-])[n-]c1=O ZINC000020395740 343634331 /nfs/dbraw/zinc/63/43/31/343634331.db2.gz XNTITBADROJXIX-UHFFFAOYSA-N -2 3 241.232 -0.290 20 0 BBADHL O=C([O-])[C@@H](CO)NC(=O)c1cccc([O-])c1 ZINC000022144937 182323147 /nfs/dbraw/zinc/32/31/47/182323147.db2.gz DROOOCBYSUJVSJ-MRVPVSSYSA-N -2 3 225.200 -0.433 20 0 BBADHL O=C([O-])[C@H](CO)NC(=O)c1cccc([O-])c1 ZINC000022144939 182285643 /nfs/dbraw/zinc/28/56/43/182285643.db2.gz DROOOCBYSUJVSJ-QMMMGPOBSA-N -2 3 225.200 -0.433 20 0 BBADHL O=C([O-])[C@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000022177228 182286685 /nfs/dbraw/zinc/28/66/85/182286685.db2.gz SKXSBKKPQAVOOD-ZETCQYMHSA-N -2 3 241.199 -0.727 20 0 BBADHL O=C([O-])CNC(=O)c1ccc(O)cc1[O-] ZINC000022222995 590389142 /nfs/dbraw/zinc/38/91/42/590389142.db2.gz IZLLHQKSGPZTES-UHFFFAOYSA-N -2 3 211.173 -0.088 20 0 BBADHL COCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972414 174337040 /nfs/dbraw/zinc/33/70/40/174337040.db2.gz JHMNFIUBUGEVQC-UHFFFAOYSA-N -2 3 249.244 -0.098 20 0 BBADHL CC[C@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000035410698 642183881 /nfs/dbraw/zinc/18/38/81/642183881.db2.gz DFKDHKMLLBUBRC-VKHMYHEASA-N -2 3 217.193 -0.008 20 0 BBADHL CC[C@@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000035410699 642184976 /nfs/dbraw/zinc/18/49/76/642184976.db2.gz DFKDHKMLLBUBRC-GSVOUGTGSA-N -2 3 217.193 -0.008 20 0 BBADHL C[C@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000035600802 604481425 /nfs/dbraw/zinc/48/14/25/604481425.db2.gz OFDMUKJUZZCXGJ-YFKPBYRVSA-N -2 3 249.244 -0.363 20 0 BBADHL C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000035600803 604481899 /nfs/dbraw/zinc/48/18/99/604481899.db2.gz OFDMUKJUZZCXGJ-RXMQYKEDSA-N -2 3 249.244 -0.363 20 0 BBADHL C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000035600890 602139601 /nfs/dbraw/zinc/13/96/01/602139601.db2.gz ZTFGMZHWPOHPDM-YFKPBYRVSA-N -2 3 249.244 -0.363 20 0 BBADHL CC(C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731442 167129500 /nfs/dbraw/zinc/12/95/00/167129500.db2.gz HMTWVTKAQSJKQM-UHFFFAOYSA-N -2 3 233.249 -0.205 20 0 BBADHL CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731600 170138366 /nfs/dbraw/zinc/13/83/66/170138366.db2.gz DETRLLKJNFRBLE-UHFFFAOYSA-N -2 3 219.222 -0.594 20 0 BBADHL CS(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000038030492 384058135 /nfs/dbraw/zinc/05/81/35/384058135.db2.gz KFRIIOZXNZWVNM-UHFFFAOYSA-N -2 3 219.222 -0.661 20 0 BBADHL O=C(Nc1nn[n-]n1)c1ccc(O)cc1[O-] ZINC000039350356 356619632 /nfs/dbraw/zinc/61/96/32/356619632.db2.gz IWYKGHQDNQMWCQ-UHFFFAOYSA-N -2 3 221.176 -0.137 20 0 BBADHL O=C(Nc1nnn[n-]1)c1ccc(O)cc1[O-] ZINC000039350356 356619629 /nfs/dbraw/zinc/61/96/29/356619629.db2.gz IWYKGHQDNQMWCQ-UHFFFAOYSA-N -2 3 221.176 -0.137 20 0 BBADHL COc1ccc(C(=O)Nc2nn[n-]n2)c([O-])c1 ZINC000039350357 411715405 /nfs/dbraw/zinc/71/54/05/411715405.db2.gz XBIDGAKKUYPUQS-UHFFFAOYSA-N -2 3 235.203 0.166 20 0 BBADHL COc1ccc(C(=O)Nc2nnn[n-]2)c([O-])c1 ZINC000039350357 411715400 /nfs/dbraw/zinc/71/54/00/411715400.db2.gz XBIDGAKKUYPUQS-UHFFFAOYSA-N -2 3 235.203 0.166 20 0 BBADHL O=C([O-])C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260315 385196215 /nfs/dbraw/zinc/19/62/15/385196215.db2.gz OZIZYWCSVAMYAX-UHFFFAOYSA-N -2 3 234.208 -0.416 20 0 BBADHL O=C(NCc1nn[n-]n1)c1ncccc1[O-] ZINC000044926950 538990743 /nfs/dbraw/zinc/99/07/43/538990743.db2.gz OJNWIMOHEGHFAN-UHFFFAOYSA-N -2 3 220.192 -0.770 20 0 BBADHL COc1ccc(C(=O)NCc2nn[n-]n2)c([O-])c1 ZINC000044927095 352500832 /nfs/dbraw/zinc/50/08/32/352500832.db2.gz RXYATZLOCMEUIT-UHFFFAOYSA-N -2 3 249.230 -0.156 20 0 BBADHL COc1ccc(C(=O)NCc2nnn[n-]2)c([O-])c1 ZINC000044927095 352500825 /nfs/dbraw/zinc/50/08/25/352500825.db2.gz RXYATZLOCMEUIT-UHFFFAOYSA-N -2 3 249.230 -0.156 20 0 BBADHL COc1cccc(C(=O)NCc2nnn[n-]2)c1[O-] ZINC000044927155 538990734 /nfs/dbraw/zinc/99/07/34/538990734.db2.gz IPVMLXXBKMLGFM-UHFFFAOYSA-N -2 3 249.230 -0.156 20 0 BBADHL COc1ccc([O-])c(C(=O)NCc2nn[n-]n2)c1 ZINC000044928760 538990581 /nfs/dbraw/zinc/99/05/81/538990581.db2.gz NFRWHMLGRXBOCI-UHFFFAOYSA-N -2 3 249.230 -0.156 20 0 BBADHL COc1ccc([O-])c(C(=O)NCc2nnn[n-]2)c1 ZINC000044928760 538990580 /nfs/dbraw/zinc/99/05/80/538990580.db2.gz NFRWHMLGRXBOCI-UHFFFAOYSA-N -2 3 249.230 -0.156 20 0 BBADHL O=C(NCc1nn[n-]n1)c1ccccc1[O-] ZINC000044929423 352502572 /nfs/dbraw/zinc/50/25/72/352502572.db2.gz IPZOUWJTVAFBTO-UHFFFAOYSA-N -2 3 219.204 -0.165 20 0 BBADHL O=C(NCc1nnn[n-]1)c1ccccc1[O-] ZINC000044929423 352502569 /nfs/dbraw/zinc/50/25/69/352502569.db2.gz IPZOUWJTVAFBTO-UHFFFAOYSA-N -2 3 219.204 -0.165 20 0 BBADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1cnn(C)c1 ZINC000047992272 712723024 /nfs/dbraw/zinc/72/30/24/712723024.db2.gz SQFNGKGKBOMXOR-UHFFFAOYSA-N -2 3 246.292 -0.614 20 0 BBADHL O=C(Nc1ncccc1[O-])c1n[nH]c(=O)[n-]1 ZINC000048723447 411211984 /nfs/dbraw/zinc/21/19/84/411211984.db2.gz FNCAGVOKFNIGTM-UHFFFAOYSA-N -2 3 221.176 -0.137 20 0 BBADHL O=C([N-]OCc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000048732662 641699883 /nfs/dbraw/zinc/69/98/83/641699883.db2.gz QIVYYWUKQIRWLQ-UHFFFAOYSA-N -2 3 234.215 -0.040 20 0 BBADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cn1C ZINC000050253102 180029224 /nfs/dbraw/zinc/02/92/24/180029224.db2.gz KDIFUQIWKOBBND-YFKPBYRVSA-N -2 3 247.276 -0.520 20 0 BBADHL Cc1nc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])cn1C ZINC000050253104 180028589 /nfs/dbraw/zinc/02/85/89/180028589.db2.gz KDIFUQIWKOBBND-RXMQYKEDSA-N -2 3 247.276 -0.520 20 0 BBADHL CCn1cc(S(=O)(=O)[N-]CC(=O)[O-])nc1C ZINC000050265396 172191353 /nfs/dbraw/zinc/19/13/53/172191353.db2.gz HYAFKNSWGRUGHX-UHFFFAOYSA-N -2 3 247.276 -0.426 20 0 BBADHL Cn1cnc(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000052096025 385151464 /nfs/dbraw/zinc/15/14/64/385151464.db2.gz XCNFUNUISXHLBE-UHFFFAOYSA-N -2 3 233.249 -0.827 20 0 BBADHL Cn1cnc(S(=O)(=O)[N-]CCCC(=O)[O-])c1 ZINC000052096030 385152931 /nfs/dbraw/zinc/15/29/31/385152931.db2.gz IKIHBHAAMZOSDG-UHFFFAOYSA-N -2 3 247.276 -0.437 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000052096057 385152679 /nfs/dbraw/zinc/15/26/79/385152679.db2.gz PNSJXFZZKAHQKX-YFKPBYRVSA-N -2 3 233.249 -0.829 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000052096058 385152994 /nfs/dbraw/zinc/15/29/94/385152994.db2.gz PNSJXFZZKAHQKX-RXMQYKEDSA-N -2 3 233.249 -0.829 20 0 BBADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)cn1 ZINC000052096104 385151931 /nfs/dbraw/zinc/15/19/31/385151931.db2.gz QIQPQLWNSZFMEE-LURJTMIESA-N -2 3 247.276 -0.438 20 0 BBADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)cn1 ZINC000052096105 385150962 /nfs/dbraw/zinc/15/09/62/385150962.db2.gz QIQPQLWNSZFMEE-ZCFIWIBFSA-N -2 3 247.276 -0.438 20 0 BBADHL CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000052096110 385151269 /nfs/dbraw/zinc/15/12/69/385151269.db2.gz XVXNGYZCBBKGGV-LURJTMIESA-N -2 3 247.276 -0.438 20 0 BBADHL CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000052096111 346247756 /nfs/dbraw/zinc/24/77/56/346247756.db2.gz XVXNGYZCBBKGGV-ZCFIWIBFSA-N -2 3 247.276 -0.438 20 0 BBADHL Cn1cnc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c1 ZINC000052096167 180770606 /nfs/dbraw/zinc/77/06/06/180770606.db2.gz KHPMKKSIRRFYIF-UHFFFAOYSA-N -2 3 247.276 -0.438 20 0 BBADHL C[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000054334165 348990857 /nfs/dbraw/zinc/99/08/57/348990857.db2.gz HFWPJOXBVQIWGD-LURJTMIESA-N -2 3 247.276 -0.581 20 0 BBADHL C[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000054334166 348990663 /nfs/dbraw/zinc/99/06/63/348990663.db2.gz HFWPJOXBVQIWGD-ZCFIWIBFSA-N -2 3 247.276 -0.581 20 0 BBADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1cn[nH]c1 ZINC000057116299 711826485 /nfs/dbraw/zinc/82/64/85/711826485.db2.gz BZOALUVGPMYYMH-UHFFFAOYSA-N -2 3 232.265 -0.625 20 0 BBADHL O=C([O-])CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947781 343294564 /nfs/dbraw/zinc/29/45/64/343294564.db2.gz SIWPHPYKIRNDJE-UHFFFAOYSA-N -2 3 219.222 -0.837 20 0 BBADHL O=C([O-])CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947788 343294554 /nfs/dbraw/zinc/29/45/54/343294554.db2.gz PULKZYOPKHBKTK-UHFFFAOYSA-N -2 3 233.249 -0.447 20 0 BBADHL CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947810 359036504 /nfs/dbraw/zinc/03/65/04/359036504.db2.gz DEVSZBKMAQCYLB-ZETCQYMHSA-N -2 3 247.276 -0.203 20 0 BBADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947812 359036880 /nfs/dbraw/zinc/03/68/80/359036880.db2.gz DEVSZBKMAQCYLB-SSDOTTSWSA-N -2 3 247.276 -0.203 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947816 343294513 /nfs/dbraw/zinc/29/45/13/343294513.db2.gz OUBYLWNOMQYDKC-BYPYZUCNSA-N -2 3 219.222 -0.839 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947818 343294429 /nfs/dbraw/zinc/29/44/29/343294429.db2.gz OUBYLWNOMQYDKC-SCSAIBSYSA-N -2 3 219.222 -0.839 20 0 BBADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947835 350461452 /nfs/dbraw/zinc/46/14/52/350461452.db2.gz QQVXCCKABCJYGM-YFKPBYRVSA-N -2 3 233.249 -0.449 20 0 BBADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947838 343294459 /nfs/dbraw/zinc/29/44/59/343294459.db2.gz QQVXCCKABCJYGM-RXMQYKEDSA-N -2 3 233.249 -0.449 20 0 BBADHL CC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947841 349969058 /nfs/dbraw/zinc/96/90/58/349969058.db2.gz JRFKSCWMTVIRNL-YFKPBYRVSA-N -2 3 233.249 -0.449 20 0 BBADHL CC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947844 349969585 /nfs/dbraw/zinc/96/95/85/349969585.db2.gz JRFKSCWMTVIRNL-RXMQYKEDSA-N -2 3 233.249 -0.449 20 0 BBADHL CCC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947845 343294580 /nfs/dbraw/zinc/29/45/80/343294580.db2.gz HVUWYEHTECGPRB-LURJTMIESA-N -2 3 247.276 -0.059 20 0 BBADHL CCC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947847 350461668 /nfs/dbraw/zinc/46/16/68/350461668.db2.gz HVUWYEHTECGPRB-ZCFIWIBFSA-N -2 3 247.276 -0.059 20 0 BBADHL CC(C)([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947900 409829220 /nfs/dbraw/zinc/82/92/20/409829220.db2.gz OTYFRRXIKLIHCE-UHFFFAOYSA-N -2 3 233.249 -0.449 20 0 BBADHL C[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947949 349969662 /nfs/dbraw/zinc/96/96/62/349969662.db2.gz JFGIVFSTRXANEH-YFKPBYRVSA-N -2 3 233.249 -0.591 20 0 BBADHL C[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000069947951 349969630 /nfs/dbraw/zinc/96/96/30/349969630.db2.gz JFGIVFSTRXANEH-RXMQYKEDSA-N -2 3 233.249 -0.591 20 0 BBADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000069947952 349969290 /nfs/dbraw/zinc/96/92/90/349969290.db2.gz RBTRQVZEWBTFON-ZETCQYMHSA-N -2 3 245.260 -0.449 20 0 BBADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000069947953 349969487 /nfs/dbraw/zinc/96/94/87/349969487.db2.gz RBTRQVZEWBTFON-SSDOTTSWSA-N -2 3 245.260 -0.449 20 0 BBADHL O=C([O-])CCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948023 349969499 /nfs/dbraw/zinc/96/94/99/349969499.db2.gz BILWIERDRJSYJC-UHFFFAOYSA-N -2 3 247.276 -0.057 20 0 BBADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948028 349969045 /nfs/dbraw/zinc/96/90/45/349969045.db2.gz UKGXIRYKRRJYPF-LURJTMIESA-N -2 3 247.276 -0.059 20 0 BBADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948029 349969280 /nfs/dbraw/zinc/96/92/80/349969280.db2.gz UKGXIRYKRRJYPF-ZCFIWIBFSA-N -2 3 247.276 -0.059 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]CC(=O)[O-])c[nH]1 ZINC000069949215 180171873 /nfs/dbraw/zinc/17/18/73/180171873.db2.gz UKXXFXBFJXVVGB-UHFFFAOYSA-N -2 3 219.222 -0.919 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]CCC(=O)[O-])c[nH]1 ZINC000069949219 180172892 /nfs/dbraw/zinc/17/28/92/180172892.db2.gz JTYRFPPPPUDDAT-UHFFFAOYSA-N -2 3 233.249 -0.529 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]CCCC(=O)[O-])c[nH]1 ZINC000069949226 180172039 /nfs/dbraw/zinc/17/20/39/180172039.db2.gz BXXOTNRCUNPJIT-UHFFFAOYSA-N -2 3 247.276 -0.139 20 0 BBADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c[nH]1 ZINC000069949231 180171293 /nfs/dbraw/zinc/17/12/93/180171293.db2.gz OJBLKZPDSXTVKD-BYPYZUCNSA-N -2 3 233.249 -0.530 20 0 BBADHL Cc1nc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c[nH]1 ZINC000069949233 180171169 /nfs/dbraw/zinc/17/11/69/180171169.db2.gz OJBLKZPDSXTVKD-SCSAIBSYSA-N -2 3 233.249 -0.530 20 0 BBADHL CC[C@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000069949255 383855142 /nfs/dbraw/zinc/85/51/42/383855142.db2.gz JMDUJUQLLWMBCI-LURJTMIESA-N -2 3 247.276 -0.140 20 0 BBADHL CC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000069949257 343294806 /nfs/dbraw/zinc/29/48/06/343294806.db2.gz JMDUJUQLLWMBCI-ZCFIWIBFSA-N -2 3 247.276 -0.140 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c[nH]1 ZINC000069949358 180172812 /nfs/dbraw/zinc/17/28/12/180172812.db2.gz HHPWJWZPLSLFIM-RXMQYKEDSA-N -2 3 247.276 -0.283 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c[nH]1 ZINC000069949361 180171900 /nfs/dbraw/zinc/17/19/00/180171900.db2.gz HHPWJWZPLSLFIM-YFKPBYRVSA-N -2 3 247.276 -0.283 20 0 BBADHL CC(C)[C@H](NC(=O)c1cnn[n-]1)C(=O)[O-] ZINC000070125633 349966162 /nfs/dbraw/zinc/96/61/62/349966162.db2.gz RGIDBUVHEOOVRE-LURJTMIESA-N -2 3 212.209 -0.356 20 0 BBADHL CC(C)[C@H](NC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000070125633 349966160 /nfs/dbraw/zinc/96/61/60/349966160.db2.gz RGIDBUVHEOOVRE-LURJTMIESA-N -2 3 212.209 -0.356 20 0 BBADHL CC(C)[C@H](NC(=O)c1c[n-]nn1)C(=O)[O-] ZINC000070125633 349966156 /nfs/dbraw/zinc/96/61/56/349966156.db2.gz RGIDBUVHEOOVRE-LURJTMIESA-N -2 3 212.209 -0.356 20 0 BBADHL CC(C)[C@@H](NC(=O)c1cnn[n-]1)C(=O)[O-] ZINC000070125635 349966728 /nfs/dbraw/zinc/96/67/28/349966728.db2.gz RGIDBUVHEOOVRE-ZCFIWIBFSA-N -2 3 212.209 -0.356 20 0 BBADHL CC(C)[C@@H](NC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000070125635 349966725 /nfs/dbraw/zinc/96/67/25/349966725.db2.gz RGIDBUVHEOOVRE-ZCFIWIBFSA-N -2 3 212.209 -0.356 20 0 BBADHL CC(C)[C@@H](NC(=O)c1c[n-]nn1)C(=O)[O-] ZINC000070125635 349966723 /nfs/dbraw/zinc/96/67/23/349966723.db2.gz RGIDBUVHEOOVRE-ZCFIWIBFSA-N -2 3 212.209 -0.356 20 0 BBADHL O=C([O-])CCCCNC(=O)c1cn[n-]n1 ZINC000070191318 598168554 /nfs/dbraw/zinc/16/85/54/598168554.db2.gz LWTJBMGBHSHDRG-UHFFFAOYSA-N -2 3 212.209 -0.211 20 0 BBADHL O=C([O-])[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000070842140 601630817 /nfs/dbraw/zinc/63/08/17/601630817.db2.gz ZCPNUSNRZXMDHA-LURJTMIESA-N -2 3 210.193 -0.602 20 0 BBADHL O=C([O-])[C@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000070842145 601630831 /nfs/dbraw/zinc/63/08/31/601630831.db2.gz ZCPNUSNRZXMDHA-ZCFIWIBFSA-N -2 3 210.193 -0.602 20 0 BBADHL O=C([O-])Cn1cc([N-]S(=O)(=O)C2CC2)cn1 ZINC000070907923 600529062 /nfs/dbraw/zinc/52/90/62/600529062.db2.gz WWYRQAMQPXDMLG-UHFFFAOYSA-N -2 3 245.260 -0.128 20 0 BBADHL O=C([O-])Cn1cc(NC(=O)c2cn[n-]n2)cn1 ZINC000071215104 600530379 /nfs/dbraw/zinc/53/03/79/600530379.db2.gz XVEKYEWMXIJLJC-UHFFFAOYSA-N -2 3 236.191 -0.662 20 0 BBADHL O=C([O-])Cn1cc(NC(=O)c2c[n-]nn2)cn1 ZINC000071215104 600530378 /nfs/dbraw/zinc/53/03/78/600530378.db2.gz XVEKYEWMXIJLJC-UHFFFAOYSA-N -2 3 236.191 -0.662 20 0 BBADHL O=C(NCc1nn[n-]n1)c1cncc([O-])c1 ZINC000082644178 491151560 /nfs/dbraw/zinc/15/15/60/491151560.db2.gz LVWQXGHVUBKLDS-UHFFFAOYSA-N -2 3 220.192 -0.770 20 0 BBADHL O=C(NCc1nnn[n-]1)c1cncc([O-])c1 ZINC000082644178 491151559 /nfs/dbraw/zinc/15/15/59/491151559.db2.gz LVWQXGHVUBKLDS-UHFFFAOYSA-N -2 3 220.192 -0.770 20 0 BBADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000082771028 384443280 /nfs/dbraw/zinc/44/32/80/384443280.db2.gz IOGKCOIPBFTLEP-UHFFFAOYSA-N -2 3 247.276 -0.059 20 0 BBADHL CC(C)[C@@H](CNC(=O)c1cnn[n-]1)C(=O)[O-] ZINC000083593405 487920961 /nfs/dbraw/zinc/92/09/61/487920961.db2.gz AEMJKJMBPNXZGG-ZCFIWIBFSA-N -2 3 226.236 -0.109 20 0 BBADHL CC(C)[C@@H](CNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000083593405 487920958 /nfs/dbraw/zinc/92/09/58/487920958.db2.gz AEMJKJMBPNXZGG-ZCFIWIBFSA-N -2 3 226.236 -0.109 20 0 BBADHL CC(C)[C@@H](CNC(=O)c1c[n-]nn1)C(=O)[O-] ZINC000083593405 487920955 /nfs/dbraw/zinc/92/09/55/487920955.db2.gz AEMJKJMBPNXZGG-ZCFIWIBFSA-N -2 3 226.236 -0.109 20 0 BBADHL CC(C)[C@H](CNC(=O)c1cnn[n-]1)C(=O)[O-] ZINC000083593407 487921454 /nfs/dbraw/zinc/92/14/54/487921454.db2.gz AEMJKJMBPNXZGG-LURJTMIESA-N -2 3 226.236 -0.109 20 0 BBADHL CC(C)[C@H](CNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000083593407 487921451 /nfs/dbraw/zinc/92/14/51/487921451.db2.gz AEMJKJMBPNXZGG-LURJTMIESA-N -2 3 226.236 -0.109 20 0 BBADHL CC(C)[C@H](CNC(=O)c1c[n-]nn1)C(=O)[O-] ZINC000083593407 487921444 /nfs/dbraw/zinc/92/14/44/487921444.db2.gz AEMJKJMBPNXZGG-LURJTMIESA-N -2 3 226.236 -0.109 20 0 BBADHL CC[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000083602813 491162240 /nfs/dbraw/zinc/16/22/40/491162240.db2.gz OWQQDURQRZSAKO-LURJTMIESA-N -2 3 247.276 -0.201 20 0 BBADHL CC[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000083602814 491162259 /nfs/dbraw/zinc/16/22/59/491162259.db2.gz OWQQDURQRZSAKO-ZCFIWIBFSA-N -2 3 247.276 -0.201 20 0 BBADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000085006633 488121721 /nfs/dbraw/zinc/12/17/21/488121721.db2.gz KQYQEIUTQUGXCG-RITPCOANSA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000085006633 488121719 /nfs/dbraw/zinc/12/17/19/488121719.db2.gz KQYQEIUTQUGXCG-RITPCOANSA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000085006633 488121717 /nfs/dbraw/zinc/12/17/17/488121717.db2.gz KQYQEIUTQUGXCG-RITPCOANSA-N -2 3 224.220 -0.212 20 0 BBADHL CCn1cnc(S(=O)(=O)[N-]CC(=O)[O-])c1 ZINC000086254043 343615646 /nfs/dbraw/zinc/61/56/46/343615646.db2.gz WVYYAKYTOPKBTI-UHFFFAOYSA-N -2 3 233.249 -0.734 20 0 BBADHL CCn1cnc(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000086254046 343615466 /nfs/dbraw/zinc/61/54/66/343615466.db2.gz LRZIDJIGQZTHGD-UHFFFAOYSA-N -2 3 247.276 -0.344 20 0 BBADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c1 ZINC000086254051 343615690 /nfs/dbraw/zinc/61/56/90/343615690.db2.gz SIMCQUSLVBDMCH-LURJTMIESA-N -2 3 247.276 -0.346 20 0 BBADHL CCn1cnc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000086254053 343615606 /nfs/dbraw/zinc/61/56/06/343615606.db2.gz SIMCQUSLVBDMCH-ZCFIWIBFSA-N -2 3 247.276 -0.346 20 0 BBADHL CC[C@](C)([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000086796886 359485807 /nfs/dbraw/zinc/48/58/07/359485807.db2.gz QTISPNBVNZKRQV-QMMMGPOBSA-N -2 3 247.276 -0.059 20 0 BBADHL CC[C@@](C)([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000086796888 359486608 /nfs/dbraw/zinc/48/66/08/359486608.db2.gz QTISPNBVNZKRQV-MRVPVSSYSA-N -2 3 247.276 -0.059 20 0 BBADHL O=C([O-])CC1(NC(=O)c2cn[n-]n2)CCC1 ZINC000086852123 601436944 /nfs/dbraw/zinc/43/69/44/601436944.db2.gz SCIWAWSZYTWJBR-UHFFFAOYSA-N -2 3 224.220 -0.068 20 0 BBADHL C[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)CC(=O)[O-] ZINC000087980858 322886767 /nfs/dbraw/zinc/88/67/67/322886767.db2.gz FYGTVJVUOXCUPI-LURJTMIESA-N -2 3 247.276 -0.201 20 0 BBADHL C[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)CC(=O)[O-] ZINC000087980859 384985154 /nfs/dbraw/zinc/98/51/54/384985154.db2.gz FYGTVJVUOXCUPI-ZCFIWIBFSA-N -2 3 247.276 -0.201 20 0 BBADHL O=C([O-])C1([N-]S(=O)(=O)c2c[nH]cn2)CCC1 ZINC000088048786 368901680 /nfs/dbraw/zinc/90/16/80/368901680.db2.gz ADPPYVDYJQMFPL-UHFFFAOYSA-N -2 3 245.260 -0.305 20 0 BBADHL C[C@@](O)(CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000090275661 386238213 /nfs/dbraw/zinc/23/82/13/386238213.db2.gz KWFLGJVRRJVLIC-LLVKDONJSA-N -2 3 239.227 -0.042 20 0 BBADHL C[C@](O)(CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000090275662 386239277 /nfs/dbraw/zinc/23/92/77/386239277.db2.gz KWFLGJVRRJVLIC-NSHDSACASA-N -2 3 239.227 -0.042 20 0 BBADHL O=C([O-])Cn1cc(NC(=O)c2nc[n-]n2)cn1 ZINC000110986710 588714627 /nfs/dbraw/zinc/71/46/27/588714627.db2.gz WQUSBHAWSTYYHY-UHFFFAOYSA-N -2 3 236.191 -0.662 20 0 BBADHL O=C([O-])NCC[N-]S(=O)(=O)c1ccccn1 ZINC000113868728 588858251 /nfs/dbraw/zinc/85/82/51/588858251.db2.gz GHEWFZPGBKFTRO-UHFFFAOYSA-N -2 3 245.260 -0.373 20 0 BBADHL CC(C)CO[N-]C(=O)c1nc(=O)[n-][nH]1 ZINC000124523853 590046322 /nfs/dbraw/zinc/04/63/22/590046322.db2.gz KEPOJRCXVXOILP-UHFFFAOYSA-N -2 3 200.198 -0.585 20 0 BBADHL COc1n[n-]c(NC(=O)CSCC(=O)[O-])n1 ZINC000126183585 590246536 /nfs/dbraw/zinc/24/65/36/590246536.db2.gz SXJJTLTZLVKZTO-UHFFFAOYSA-N -2 3 246.248 -0.430 20 0 BBADHL COc1nnc(NC(=O)CSCC(=O)[O-])[n-]1 ZINC000126183585 590246534 /nfs/dbraw/zinc/24/65/34/590246534.db2.gz SXJJTLTZLVKZTO-UHFFFAOYSA-N -2 3 246.248 -0.430 20 0 BBADHL COc1nc(NC(=O)CSCC(=O)[O-])n[n-]1 ZINC000126183585 590246532 /nfs/dbraw/zinc/24/65/32/590246532.db2.gz SXJJTLTZLVKZTO-UHFFFAOYSA-N -2 3 246.248 -0.430 20 0 BBADHL COc1nc([N-]C(=O)c2cnsn2)n[n-]1 ZINC000126766994 590440918 /nfs/dbraw/zinc/44/09/18/590440918.db2.gz BJSCVGZXOUSMTC-UHFFFAOYSA-N -2 3 226.221 -0.083 20 0 BBADHL COCCS(=O)(=O)[N-]c1n[n-]c(OC)n1 ZINC000126843643 388705807 /nfs/dbraw/zinc/70/58/07/388705807.db2.gz CLCWSYUMRQFEEH-UHFFFAOYSA-N -2 3 236.253 -0.799 20 0 BBADHL O=C(Nc1nn[n-]n1)c1ncccc1[O-] ZINC000127331445 388721781 /nfs/dbraw/zinc/72/17/81/388721781.db2.gz QXPCCYUSIDFQBK-UHFFFAOYSA-N -2 3 206.165 -0.447 20 0 BBADHL COc1nc([N-]C(=O)c2cnns2)n[n-]1 ZINC000127824919 175395340 /nfs/dbraw/zinc/39/53/40/175395340.db2.gz DJTPPUMFXDPKBL-UHFFFAOYSA-N -2 3 226.221 -0.083 20 0 BBADHL O=C(NCc1nn[n-]n1)c1cc(F)ccc1[O-] ZINC000128648075 490585553 /nfs/dbraw/zinc/58/55/53/490585553.db2.gz TYACOJBNVBYSNE-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL O=C(NCc1nnn[n-]1)c1cc(F)ccc1[O-] ZINC000128648075 490585551 /nfs/dbraw/zinc/58/55/51/490585551.db2.gz TYACOJBNVBYSNE-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL COc1nc([N-]C(=O)c2csnn2)n[n-]1 ZINC000129396386 175395479 /nfs/dbraw/zinc/39/54/79/175395479.db2.gz HOAYGDATDAUBIZ-UHFFFAOYSA-N -2 3 226.221 -0.083 20 0 BBADHL O=C([O-])C[C@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000129689130 591377636 /nfs/dbraw/zinc/37/76/36/591377636.db2.gz PDDDQMPPTCGKIS-LURJTMIESA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])C[C@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000129689130 591377632 /nfs/dbraw/zinc/37/76/32/591377632.db2.gz PDDDQMPPTCGKIS-LURJTMIESA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])C[C@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000129689130 591377629 /nfs/dbraw/zinc/37/76/29/591377629.db2.gz PDDDQMPPTCGKIS-LURJTMIESA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])C[C@@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000129689332 591377147 /nfs/dbraw/zinc/37/71/47/591377147.db2.gz PDDDQMPPTCGKIS-ZCFIWIBFSA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])C[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000129689332 591377142 /nfs/dbraw/zinc/37/71/42/591377142.db2.gz PDDDQMPPTCGKIS-ZCFIWIBFSA-N -2 3 224.220 -0.212 20 0 BBADHL O=C([O-])C[C@@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000129689332 591377137 /nfs/dbraw/zinc/37/71/37/591377137.db2.gz PDDDQMPPTCGKIS-ZCFIWIBFSA-N -2 3 224.220 -0.212 20 0 BBADHL COCCO[N-]C(=O)CCCC(=O)[O-] ZINC000134227977 591903446 /nfs/dbraw/zinc/90/34/46/591903446.db2.gz QKERDHBKTFXORW-UHFFFAOYSA-N -2 3 205.210 -0.065 20 0 BBADHL CCOC(=O)c1cc([N-]S(C)(=O)=O)n[n-]1 ZINC000157258870 326264587 /nfs/dbraw/zinc/26/45/87/326264587.db2.gz HGUDKUDCTVDSRQ-UHFFFAOYSA-N -2 3 233.249 -0.042 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H](C)C(=O)[O-] ZINC000164880136 326418166 /nfs/dbraw/zinc/41/81/66/326418166.db2.gz FWJFBLRBDSXLPO-NTSWFWBYSA-N -2 3 247.276 -0.203 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H](C)C(=O)[O-] ZINC000164880261 326418289 /nfs/dbraw/zinc/41/82/89/326418289.db2.gz FWJFBLRBDSXLPO-PHDIDXHHSA-N -2 3 247.276 -0.203 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H](C)C(=O)[O-] ZINC000164880372 326418248 /nfs/dbraw/zinc/41/82/48/326418248.db2.gz FWJFBLRBDSXLPO-WDSKDSINSA-N -2 3 247.276 -0.203 20 0 BBADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000164880499 388386919 /nfs/dbraw/zinc/38/69/19/388386919.db2.gz FWJFBLRBDSXLPO-RITPCOANSA-N -2 3 247.276 -0.203 20 0 BBADHL CC(C)(CNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000167885260 601708121 /nfs/dbraw/zinc/70/81/21/601708121.db2.gz JZTPKZUJGNFVLO-UHFFFAOYSA-N -2 3 212.209 -0.355 20 0 BBADHL CC(C)(C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000167894020 364820182 /nfs/dbraw/zinc/82/01/82/364820182.db2.gz IIKYQJWEGLMQNA-UHFFFAOYSA-N -2 3 247.276 -0.201 20 0 BBADHL O=C([O-])C1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000168395504 487505681 /nfs/dbraw/zinc/50/56/81/487505681.db2.gz FYURRWJSAYQQTF-UHFFFAOYSA-N -2 3 224.220 -0.211 20 0 BBADHL O=C([O-])C1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000168395504 487505676 /nfs/dbraw/zinc/50/56/76/487505676.db2.gz FYURRWJSAYQQTF-UHFFFAOYSA-N -2 3 224.220 -0.211 20 0 BBADHL O=C([O-])C1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000168395504 487505672 /nfs/dbraw/zinc/50/56/72/487505672.db2.gz FYURRWJSAYQQTF-UHFFFAOYSA-N -2 3 224.220 -0.211 20 0 BBADHL O=C(Nc1ncccc1[O-])c1cc(=O)[nH][n-]1 ZINC000169919656 640884901 /nfs/dbraw/zinc/88/49/01/640884901.db2.gz BZBISPQDZDYKMK-UHFFFAOYSA-N -2 3 220.188 -0.398 20 0 BBADHL Cn1cnc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1 ZINC000203651438 345731266 /nfs/dbraw/zinc/73/12/66/345731266.db2.gz OKVZGPZIXYOPOA-UHFFFAOYSA-N -2 3 245.260 -0.684 20 0 BBADHL O=C([O-])C1([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000203656393 346646178 /nfs/dbraw/zinc/64/61/78/346646178.db2.gz FXXLWMDMNVSLEL-UHFFFAOYSA-N -2 3 231.233 -0.695 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c[nH]1 ZINC000203657600 346646512 /nfs/dbraw/zinc/64/65/12/346646512.db2.gz FZBIZLUTSMDRHL-UHFFFAOYSA-N -2 3 245.260 -0.386 20 0 BBADHL Nc1ccc(C(=O)NCC(=O)[O-])c([O-])c1 ZINC000221097226 584906335 /nfs/dbraw/zinc/90/63/35/584906335.db2.gz NTFRJXJYBFHCHZ-UHFFFAOYSA-N -2 3 210.189 -0.211 20 0 BBADHL O=C([N-]Cc1nnn[n-]1)C(F)(F)C(F)F ZINC000226643088 640786200 /nfs/dbraw/zinc/78/62/00/640786200.db2.gz QCDHOKBFPFNGKI-UHFFFAOYSA-N -2 3 227.121 -0.284 20 0 BBADHL O=C(NCc1nn[n-]n1)c1c([O-])cccc1F ZINC000228922861 491107733 /nfs/dbraw/zinc/10/77/33/491107733.db2.gz DVXDYJLXBQIZND-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL O=C(NCc1nnn[n-]1)c1c([O-])cccc1F ZINC000228922861 491107731 /nfs/dbraw/zinc/10/77/31/491107731.db2.gz DVXDYJLXBQIZND-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL O=C([O-])CNC(=O)c1c([O-])cccc1O ZINC000229291348 598153328 /nfs/dbraw/zinc/15/33/28/598153328.db2.gz SOHOQJQKUVQSOB-UHFFFAOYSA-N -2 3 211.173 -0.088 20 0 BBADHL Cc1ncc(S(=O)(=O)[N-]CC(=O)[O-])s1 ZINC000230275534 363302849 /nfs/dbraw/zinc/30/28/49/363302849.db2.gz JMAMNMFYMADAMB-UHFFFAOYSA-N -2 3 236.274 -0.186 20 0 BBADHL O=C(NCc1nn[n-]n1)c1ccc([O-])cc1F ZINC000231294728 538105794 /nfs/dbraw/zinc/10/57/94/538105794.db2.gz DVTPEPNMBGGZLZ-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL O=C(NCc1nnn[n-]1)c1ccc([O-])cc1F ZINC000231294728 538105793 /nfs/dbraw/zinc/10/57/93/538105793.db2.gz DVTPEPNMBGGZLZ-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL CC(C)n1cnc(S(=O)(=O)[N-]CC(=O)[O-])c1 ZINC000261576668 135218509 /nfs/dbraw/zinc/21/85/09/135218509.db2.gz KNDCUWVPFSCJCZ-UHFFFAOYSA-N -2 3 247.276 -0.173 20 0 BBADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCC(=O)[O-] ZINC000263408929 180026724 /nfs/dbraw/zinc/02/67/24/180026724.db2.gz IJKOEEVQMRYOQA-UHFFFAOYSA-N -2 3 241.203 0.000 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000263556962 135360045 /nfs/dbraw/zinc/36/00/45/135360045.db2.gz OZOWMAWPOLEZLF-LURJTMIESA-N -2 3 230.245 -0.167 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000263556964 135360251 /nfs/dbraw/zinc/36/02/51/135360251.db2.gz OZOWMAWPOLEZLF-ZCFIWIBFSA-N -2 3 230.245 -0.167 20 0 BBADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)C(=O)[O-] ZINC000263563090 135360276 /nfs/dbraw/zinc/36/02/76/135360276.db2.gz TUVHBIRIOAPPMG-GSVOUGTGSA-N -2 3 241.203 -0.145 20 0 BBADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)C(=O)[O-] ZINC000263563091 135360181 /nfs/dbraw/zinc/36/01/81/135360181.db2.gz TUVHBIRIOAPPMG-VKHMYHEASA-N -2 3 241.203 -0.145 20 0 BBADHL CC(C)CO[N-]C(=O)CN1CC(=O)[N-]C1=O ZINC000269728633 385628475 /nfs/dbraw/zinc/62/84/75/385628475.db2.gz WZBNSJNJYNXPSK-UHFFFAOYSA-N -2 3 229.236 -0.758 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]OC1CCCC1 ZINC000271849629 385854200 /nfs/dbraw/zinc/85/42/00/385854200.db2.gz WEDVLNZUMDRAOL-UHFFFAOYSA-N -2 3 241.247 -0.471 20 0 BBADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277286847 388353690 /nfs/dbraw/zinc/35/36/90/388353690.db2.gz QNNPJBQLPMCQOY-VDTYLAMSSA-N -2 3 249.244 -0.608 20 0 BBADHL Cc1nc(S(=O)(=O)[N-]CC=CC(=O)[O-])c[nH]1 ZINC000278563549 180171305 /nfs/dbraw/zinc/17/13/05/180171305.db2.gz BSLJLRUDJQJIGY-NSCUHMNNSA-N -2 3 245.260 -0.363 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]OC/C=C/Cl ZINC000291836914 386591819 /nfs/dbraw/zinc/59/18/19/386591819.db2.gz NFJJFDHZXSTVER-OWOJBTEDSA-N -2 3 247.638 -0.662 20 0 BBADHL CC[C@@H](C)CO[N-]C(=O)CN1CC(=O)[N-]C1=O ZINC000293887950 386896117 /nfs/dbraw/zinc/89/61/17/386896117.db2.gz ZNBREMMJWVNKQM-SSDOTTSWSA-N -2 3 243.263 -0.368 20 0 BBADHL CC[C@H](C)CO[N-]C(=O)CN1CC(=O)[N-]C1=O ZINC000293887955 171289051 /nfs/dbraw/zinc/28/90/51/171289051.db2.gz ZNBREMMJWVNKQM-ZETCQYMHSA-N -2 3 243.263 -0.368 20 0 BBADHL CO[N-]C(=O)CCSCCC(=O)[N-]OC ZINC000298167733 386303714 /nfs/dbraw/zinc/30/37/14/386303714.db2.gz PTYJHSIYTLJTGJ-UHFFFAOYSA-N -2 3 236.293 -0.145 20 0 BBADHL CO[N-]C(=O)Cc1sc(N)nc1[O-] ZINC000307117617 643407082 /nfs/dbraw/zinc/40/70/82/643407082.db2.gz PQKZTNVHMLBTFR-GSVOUGTGSA-N -2 3 203.223 -0.989 20 0 BBADHL CO[N-]C(=O)Cc1sc(N)nc1[O-] ZINC000307117618 643408380 /nfs/dbraw/zinc/40/83/80/643408380.db2.gz PQKZTNVHMLBTFR-VKHMYHEASA-N -2 3 203.223 -0.989 20 0 BBADHL [O-]C(=NOCCO)N=c1cn[n-]s1 ZINC000307177607 711773614 /nfs/dbraw/zinc/77/36/14/711773614.db2.gz IKRWDUOIGMDQHP-UHFFFAOYSA-N -2 3 204.211 -0.417 20 0 BBADHL Cn1ncc([N-]S(C)(=O)=O)c1C(=O)[O-] ZINC000307621588 323329176 /nfs/dbraw/zinc/32/91/76/323329176.db2.gz BMTQZGANNLVQGF-UHFFFAOYSA-N -2 3 219.222 -0.510 20 0 BBADHL Cc1ncc(CNC(=O)C(=O)[O-])c(=O)[n-]1 ZINC000308850895 385223071 /nfs/dbraw/zinc/22/30/71/385223071.db2.gz OHNDOINWKIEHRA-UHFFFAOYSA-N -2 3 211.177 -0.809 20 0 BBADHL CO[C@@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000309351906 323082043 /nfs/dbraw/zinc/08/20/43/323082043.db2.gz MZSRSJQWZWWQSL-LURJTMIESA-N -2 3 249.244 -0.343 20 0 BBADHL CO[C@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000309351909 323344072 /nfs/dbraw/zinc/34/40/72/323344072.db2.gz MZSRSJQWZWWQSL-ZCFIWIBFSA-N -2 3 249.244 -0.343 20 0 BBADHL CC(C)c1nc(S(=O)(=O)[N-]CC(=O)[O-])c[nH]1 ZINC000309629075 491153173 /nfs/dbraw/zinc/15/31/73/491153173.db2.gz QTKFBSWBIKQDPU-UHFFFAOYSA-N -2 3 247.276 -0.104 20 0 BBADHL O=C([O-])COCC[N-]S(=O)(=O)c1ccco1 ZINC000309706383 326164338 /nfs/dbraw/zinc/16/43/38/326164338.db2.gz VNAXAUICGRCDNX-UHFFFAOYSA-N -2 3 249.244 -0.341 20 0 BBADHL CN(C)S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000309753331 326166970 /nfs/dbraw/zinc/16/69/70/326166970.db2.gz LATLOSFKDURTEN-UHFFFAOYSA-N -2 3 248.264 -0.663 20 0 BBADHL O=C([O-])C[N-]S(=O)(=O)c1ccco1 ZINC000336663354 182467930 /nfs/dbraw/zinc/46/79/30/182467930.db2.gz WOHQZFIWNQFTSD-UHFFFAOYSA-N -2 3 205.191 -0.358 20 0 BBADHL O=C([O-])C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000336729826 386149495 /nfs/dbraw/zinc/14/94/95/386149495.db2.gz DGVDBNQYYLZKBQ-UHFFFAOYSA-N -2 3 238.125 -0.476 20 0 BBADHL O=C([O-])C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000336729826 386149491 /nfs/dbraw/zinc/14/94/91/386149491.db2.gz DGVDBNQYYLZKBQ-UHFFFAOYSA-N -2 3 238.125 -0.476 20 0 BBADHL O=C([O-])C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000336729826 386149487 /nfs/dbraw/zinc/14/94/87/386149487.db2.gz DGVDBNQYYLZKBQ-UHFFFAOYSA-N -2 3 238.125 -0.476 20 0 BBADHL O=c1[n-]c(CN=c2ncnc3[nH][n-]cc2-3)n[nH]1 ZINC000337620649 183306613 /nfs/dbraw/zinc/30/66/13/183306613.db2.gz QXANUBQZEBMBKG-UHFFFAOYSA-N -2 3 232.207 -0.838 20 0 BBADHL CC(C)(NC(=O)c1cncc([O-])c1)c1nn[n-]n1 ZINC000339902751 188369519 /nfs/dbraw/zinc/36/95/19/188369519.db2.gz XTGUCANCGJGWNX-UHFFFAOYSA-N -2 3 248.246 -0.035 20 0 BBADHL CC(C)(NC(=O)c1cncc([O-])c1)c1nnn[n-]1 ZINC000339902751 188369517 /nfs/dbraw/zinc/36/95/17/188369517.db2.gz XTGUCANCGJGWNX-UHFFFAOYSA-N -2 3 248.246 -0.035 20 0 BBADHL O=C(NCc1n[nH]c(=O)[n-]1)c1cncc([O-])c1 ZINC000339915989 182272060 /nfs/dbraw/zinc/27/20/60/182272060.db2.gz FISNEXDZFXUXPG-UHFFFAOYSA-N -2 3 235.203 -0.459 20 0 BBADHL Cc1noc(=NC([O-])=CSc2nc[nH]n2)[n-]1 ZINC000339947308 386831997 /nfs/dbraw/zinc/83/19/97/386831997.db2.gz KZOGUJGSUKKCNC-UHFFFAOYSA-N -2 3 240.248 -0.351 20 0 BBADHL O=C(Nc1nn[n-]n1)c1cncc([O-])c1 ZINC000339953899 386838169 /nfs/dbraw/zinc/83/81/69/386838169.db2.gz DRVMMACPCGBYFU-UHFFFAOYSA-N -2 3 206.165 -0.447 20 0 BBADHL O=C(Nc1nnn[n-]1)c1cncc([O-])c1 ZINC000339953899 386838165 /nfs/dbraw/zinc/83/81/65/386838165.db2.gz DRVMMACPCGBYFU-UHFFFAOYSA-N -2 3 206.165 -0.447 20 0 BBADHL COC(=O)c1ccc(C(=O)Nc2nn[n-]n2)[n-]1 ZINC000340467841 385863479 /nfs/dbraw/zinc/86/34/79/385863479.db2.gz UZGOHUSLTUEMNP-UHFFFAOYSA-N -2 3 236.191 -0.433 20 0 BBADHL COC(=O)c1ccc(C(=O)Nc2nnn[n-]2)[n-]1 ZINC000340467841 385863478 /nfs/dbraw/zinc/86/34/78/385863478.db2.gz UZGOHUSLTUEMNP-UHFFFAOYSA-N -2 3 236.191 -0.433 20 0 BBADHL COCc1nc(=NC(=O)c2nc[n-]n2)s[n-]1 ZINC000345764790 354756671 /nfs/dbraw/zinc/75/66/71/354756671.db2.gz DPALXEXITJQGLO-UHFFFAOYSA-N -2 3 240.248 -0.523 20 0 BBADHL COCc1nc(=NC(=O)c2nnc[n-]2)s[n-]1 ZINC000345764790 354756668 /nfs/dbraw/zinc/75/66/68/354756668.db2.gz DPALXEXITJQGLO-UHFFFAOYSA-N -2 3 240.248 -0.523 20 0 BBADHL COCc1nc(=NC(=O)c2ncn[n-]2)s[n-]1 ZINC000345764790 354756664 /nfs/dbraw/zinc/75/66/64/354756664.db2.gz DPALXEXITJQGLO-UHFFFAOYSA-N -2 3 240.248 -0.523 20 0 BBADHL O=C(NC1(c2nn[n-]n2)CC1)c1cncc([O-])c1 ZINC000355028709 182092724 /nfs/dbraw/zinc/09/27/24/182092724.db2.gz GAYYHOKBUTXBPO-UHFFFAOYSA-N -2 3 246.230 -0.281 20 0 BBADHL O=C(NC1(c2nnn[n-]2)CC1)c1cncc([O-])c1 ZINC000355028709 182092722 /nfs/dbraw/zinc/09/27/22/182092722.db2.gz GAYYHOKBUTXBPO-UHFFFAOYSA-N -2 3 246.230 -0.281 20 0 BBADHL O=C(NC1(c2nn[n-]n2)CC1)c1ncccc1[O-] ZINC000357052763 182092478 /nfs/dbraw/zinc/09/24/78/182092478.db2.gz RWOBAHBAXVOOEA-UHFFFAOYSA-N -2 3 246.230 -0.281 20 0 BBADHL COc1cc(C(=O)[N-]c2nn[n-]n2)on1 ZINC000359815671 387168778 /nfs/dbraw/zinc/16/87/78/387168778.db2.gz XUZVMYULVPCPGS-UHFFFAOYSA-N -2 3 210.153 -0.551 20 0 BBADHL O=C([O-])C1([N-]S(=O)(=O)c2ccco2)COC1 ZINC000365156677 388564802 /nfs/dbraw/zinc/56/48/02/388564802.db2.gz MLANCVYVNITHLA-UHFFFAOYSA-N -2 3 247.228 -0.589 20 0 BBADHL O=C([O-])C1([N-]S(=O)(=O)CCCF)COC1 ZINC000372287137 182423757 /nfs/dbraw/zinc/42/37/57/182423757.db2.gz DSSMRERRSYDVEE-UHFFFAOYSA-N -2 3 241.240 -0.881 20 0 BBADHL Cc1noc(C[N-]S(=O)(=O)c2ncc[n-]2)n1 ZINC000381303934 487746862 /nfs/dbraw/zinc/74/68/62/487746862.db2.gz HTCBRBDTXFAAHG-UHFFFAOYSA-N -2 3 243.248 -0.420 20 0 BBADHL CC=CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000385095756 344884354 /nfs/dbraw/zinc/88/43/54/344884354.db2.gz YUOKSQDCGPZKKW-IHWYPQMZSA-N -2 3 245.260 -0.038 20 0 BBADHL CC=CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000385095764 344323640 /nfs/dbraw/zinc/32/36/40/344323640.db2.gz YUOKSQDCGPZKKW-NSCUHMNNSA-N -2 3 245.260 -0.038 20 0 BBADHL O=C([O-])CSCCNC(=O)c1cn[n-]n1 ZINC000389413756 599889126 /nfs/dbraw/zinc/88/91/26/599889126.db2.gz SDVCHSNTXJLCLZ-UHFFFAOYSA-N -2 3 230.249 -0.648 20 0 BBADHL COC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000390124387 357083029 /nfs/dbraw/zinc/08/30/29/357083029.db2.gz HEOZGAFLTHFEQH-LURJTMIESA-N -2 3 249.244 -0.343 20 0 BBADHL COC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000390124390 357082943 /nfs/dbraw/zinc/08/29/43/357082943.db2.gz HEOZGAFLTHFEQH-ZCFIWIBFSA-N -2 3 249.244 -0.343 20 0 BBADHL O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCc2n[n-]nc2C1 ZINC000396863266 410902521 /nfs/dbraw/zinc/90/25/21/410902521.db2.gz RTXBJKNEZUQLGL-PHDIDXHHSA-N -2 3 236.231 -0.590 20 0 BBADHL CC(C)(C(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000396872963 410902630 /nfs/dbraw/zinc/90/26/30/410902630.db2.gz YOANVDURCCYLEG-UHFFFAOYSA-N -2 3 238.247 -0.200 20 0 BBADHL O=C([O-])CC1([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000398258697 410952944 /nfs/dbraw/zinc/95/29/44/410952944.db2.gz SWLGJHGGDSJKMK-UHFFFAOYSA-N -2 3 245.260 -0.305 20 0 BBADHL C[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000416402960 411884257 /nfs/dbraw/zinc/88/42/57/411884257.db2.gz YLBRHWUPTMCMTD-GSVOUGTGSA-N -2 3 222.208 -0.806 20 0 BBADHL C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000416402966 411919524 /nfs/dbraw/zinc/91/95/24/411919524.db2.gz YLBRHWUPTMCMTD-VKHMYHEASA-N -2 3 222.208 -0.806 20 0 BBADHL Nc1nc(=NCCCC(=O)[O-])nc2[nH][n-]cc1-2 ZINC000416425180 411925184 /nfs/dbraw/zinc/92/51/84/411925184.db2.gz CSPCGMGWWUBFGR-UHFFFAOYSA-N -2 3 236.235 -0.415 20 0 BBADHL C[C@@H](CC(=O)[O-])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000416428401 411878928 /nfs/dbraw/zinc/87/89/28/411878928.db2.gz UMUQTFZOZNTJEB-BYPYZUCNSA-N -2 3 236.235 -0.416 20 0 BBADHL C[C@H](CC(=O)[O-])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000416428402 411917004 /nfs/dbraw/zinc/91/70/04/411917004.db2.gz UMUQTFZOZNTJEB-SCSAIBSYSA-N -2 3 236.235 -0.416 20 0 BBADHL CN(CCC(=O)[O-])c1nc2[nH][n-]cc-2c(=N)n1 ZINC000416428446 386304151 /nfs/dbraw/zinc/30/41/51/386304151.db2.gz QKPMJCBRHUDSCZ-UHFFFAOYSA-N -2 3 236.235 -0.372 20 0 BBADHL CC(C)(NC(=O)c1ncccc1[O-])c1nn[n-]n1 ZINC000427253335 191057709 /nfs/dbraw/zinc/05/77/09/191057709.db2.gz NPVCFUSTMCPXAG-UHFFFAOYSA-N -2 3 248.246 -0.035 20 0 BBADHL Cc1cnc(C(=O)Nc2nn[n-]n2)c([O-])c1 ZINC000427462709 384612788 /nfs/dbraw/zinc/61/27/88/384612788.db2.gz OWJQULPUOZXVII-UHFFFAOYSA-N -2 3 220.192 -0.139 20 0 BBADHL O=C(Nc1nn[n-]n1)C(=O)c1ccc([O-])cc1 ZINC000436903143 201340254 /nfs/dbraw/zinc/34/02/54/201340254.db2.gz HLQHVLGBGLACPN-UHFFFAOYSA-N -2 3 233.187 -0.273 20 0 BBADHL O=C(Nc1nnn[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436903143 201340250 /nfs/dbraw/zinc/34/02/50/201340250.db2.gz HLQHVLGBGLACPN-UHFFFAOYSA-N -2 3 233.187 -0.273 20 0 BBADHL Cn1ncnc1[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000436954033 201340778 /nfs/dbraw/zinc/34/07/78/201340778.db2.gz DFAXUGCZXWVYHU-UHFFFAOYSA-N -2 3 246.226 -0.236 20 0 BBADHL CN(C)c1nc(C(=O)NCC(=O)[O-])cc(=O)[n-]1 ZINC000455761219 388168640 /nfs/dbraw/zinc/16/86/40/388168640.db2.gz XYPQXVKIEZXMAH-UHFFFAOYSA-N -2 3 240.219 -0.937 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)Nc1nn[n-]n1 ZINC000492521688 226012894 /nfs/dbraw/zinc/01/28/94/226012894.db2.gz QTLFJYBFAAFCLH-OWOJBTEDSA-N -2 3 232.203 -0.048 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)Nc1nnn[n-]1 ZINC000492521688 226012892 /nfs/dbraw/zinc/01/28/92/226012892.db2.gz QTLFJYBFAAFCLH-OWOJBTEDSA-N -2 3 232.203 -0.048 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)Nc1nn[n-]n1 ZINC000492521689 226012794 /nfs/dbraw/zinc/01/27/94/226012794.db2.gz QTLFJYBFAAFCLH-UPHRSURJSA-N -2 3 232.203 -0.048 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)Nc1nnn[n-]1 ZINC000492521689 226012791 /nfs/dbraw/zinc/01/27/91/226012791.db2.gz QTLFJYBFAAFCLH-UPHRSURJSA-N -2 3 232.203 -0.048 20 0 BBADHL Cn1ccc(S(=O)(=O)[N-]CCCC(=O)[O-])n1 ZINC000519764496 386552282 /nfs/dbraw/zinc/55/22/82/386552282.db2.gz IDSVGWDHGPQXLE-UHFFFAOYSA-N -2 3 247.276 -0.437 20 0 BBADHL O=C(NCc1ncccc1[O-])c1n[nH]c(=O)[n-]1 ZINC000527210181 262832255 /nfs/dbraw/zinc/83/22/55/262832255.db2.gz LLISRAUVTKGPQS-UHFFFAOYSA-N -2 3 235.203 -0.459 20 0 BBADHL C[C@@H](C(=O)[O-])N(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000561093560 384488819 /nfs/dbraw/zinc/48/88/19/384488819.db2.gz NNDFSINUKHEBJX-BYPYZUCNSA-N -2 3 236.235 -0.374 20 0 BBADHL C[C@H](C(=O)[O-])N(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000561093661 384489705 /nfs/dbraw/zinc/48/97/05/384489705.db2.gz NNDFSINUKHEBJX-SCSAIBSYSA-N -2 3 236.235 -0.374 20 0 BBADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C(=O)[O-] ZINC000563128520 323094375 /nfs/dbraw/zinc/09/43/75/323094375.db2.gz BPNJEVSKZAQROM-RXMQYKEDSA-N -2 3 241.247 -0.197 20 0 BBADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)C(=O)[O-] ZINC000563128521 323094266 /nfs/dbraw/zinc/09/42/66/323094266.db2.gz BPNJEVSKZAQROM-YFKPBYRVSA-N -2 3 241.247 -0.197 20 0 BBADHL C[C@H](CN=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000565367766 411261869 /nfs/dbraw/zinc/26/18/69/411261869.db2.gz ODJGDPLJBTYPHM-SCSAIBSYSA-N -2 3 236.235 -0.559 20 0 BBADHL CC[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000565705347 411878871 /nfs/dbraw/zinc/87/88/71/411878871.db2.gz NKFVGPQATKISLS-RXMQYKEDSA-N -2 3 236.235 -0.416 20 0 BBADHL Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])o1 ZINC000566311480 326032412 /nfs/dbraw/zinc/03/24/12/326032412.db2.gz DPTHSEPRBSNMOG-ZCFIWIBFSA-N -2 3 249.244 -0.688 20 0 BBADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])o1 ZINC000568108647 322913823 /nfs/dbraw/zinc/91/38/23/322913823.db2.gz IMCANEZEIUGXFU-ZCFIWIBFSA-N -2 3 249.244 -0.688 20 0 BBADHL Cn1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)n1 ZINC000568758231 326375493 /nfs/dbraw/zinc/37/54/93/326375493.db2.gz JLHFIVFGIPRGKW-UHFFFAOYSA-N -2 3 245.260 -0.684 20 0 BBADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccn(C)n1 ZINC000570926069 323074626 /nfs/dbraw/zinc/07/46/26/323074626.db2.gz RRXSKOUQFBGWIK-LURJTMIESA-N -2 3 247.276 -0.438 20 0 BBADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccn(C)n1 ZINC000570926070 323074709 /nfs/dbraw/zinc/07/47/09/323074709.db2.gz RRXSKOUQFBGWIK-ZCFIWIBFSA-N -2 3 247.276 -0.438 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000570964129 350667728 /nfs/dbraw/zinc/66/77/28/350667728.db2.gz CENXJUURMWBZMW-SCSAIBSYSA-N -2 3 236.274 -0.106 20 0 BBADHL C[C@@H](C[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000573916859 364944972 /nfs/dbraw/zinc/94/49/72/364944972.db2.gz AUMYCQKPXDRYCA-LURJTMIESA-N -2 3 247.276 -0.581 20 0 BBADHL C[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000573916860 364945295 /nfs/dbraw/zinc/94/52/95/364945295.db2.gz AUMYCQKPXDRYCA-ZCFIWIBFSA-N -2 3 247.276 -0.581 20 0 BBADHL Cn1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])n1 ZINC000574078242 364982013 /nfs/dbraw/zinc/98/20/13/364982013.db2.gz XVVIDJPGGAUCRU-UHFFFAOYSA-N -2 3 247.276 -0.438 20 0 BBADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccoc1 ZINC000575985659 365436383 /nfs/dbraw/zinc/43/63/83/365436383.db2.gz WSBZZNOXIQYROM-LURJTMIESA-N -2 3 237.208 -0.019 20 0 BBADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccoc1 ZINC000575985660 365436503 /nfs/dbraw/zinc/43/65/03/365436503.db2.gz WSBZZNOXIQYROM-ZCFIWIBFSA-N -2 3 237.208 -0.019 20 0 BBADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000576272052 365544739 /nfs/dbraw/zinc/54/47/39/365544739.db2.gz PITUMDDDLXKNPG-IZLXSQMJSA-N -2 3 245.260 -0.449 20 0 BBADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])o1 ZINC000576826214 365695668 /nfs/dbraw/zinc/69/56/68/365695668.db2.gz IMCANEZEIUGXFU-LURJTMIESA-N -2 3 249.244 -0.688 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000577106754 365817181 /nfs/dbraw/zinc/81/71/81/365817181.db2.gz WMIVRDOARMJDAG-YFKPBYRVSA-N -2 3 233.249 -0.829 20 0 BBADHL CC[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000577110525 365820472 /nfs/dbraw/zinc/82/04/72/365820472.db2.gz IYIZWXHWWUVQJY-ZCFIWIBFSA-N -2 3 247.276 -0.438 20 0 BBADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])o1 ZINC000577496212 365969353 /nfs/dbraw/zinc/96/93/53/365969353.db2.gz DPTHSEPRBSNMOG-LURJTMIESA-N -2 3 249.244 -0.688 20 0 BBADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cccnc1 ZINC000577507622 365972501 /nfs/dbraw/zinc/97/25/01/365972501.db2.gz MEUURHHNJNLHJQ-SSDOTTSWSA-N -2 3 248.235 -0.217 20 0 BBADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1cccnc1 ZINC000577507623 365972905 /nfs/dbraw/zinc/97/29/05/365972905.db2.gz MEUURHHNJNLHJQ-ZETCQYMHSA-N -2 3 248.235 -0.217 20 0 BBADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000579708851 366980765 /nfs/dbraw/zinc/98/07/65/366980765.db2.gz PITUMDDDLXKNPG-OLQVQODUSA-N -2 3 245.260 -0.449 20 0 BBADHL COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000579833286 367037730 /nfs/dbraw/zinc/03/77/30/367037730.db2.gz RVHWOTOVDSIXCZ-UHFFFAOYSA-N -2 3 249.244 -0.098 20 0 BBADHL C[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000579952470 367099704 /nfs/dbraw/zinc/09/97/04/367099704.db2.gz CENXJUURMWBZMW-BYPYZUCNSA-N -2 3 236.274 -0.106 20 0 BBADHL C[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000580548431 365750035 /nfs/dbraw/zinc/75/00/35/365750035.db2.gz WMIVRDOARMJDAG-RXMQYKEDSA-N -2 3 233.249 -0.829 20 0 BBADHL CC[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000581427223 367466721 /nfs/dbraw/zinc/46/67/21/367466721.db2.gz IYIZWXHWWUVQJY-LURJTMIESA-N -2 3 247.276 -0.438 20 0 BBADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000583497886 355331561 /nfs/dbraw/zinc/33/15/61/355331561.db2.gz NHJOOTHHVZLPTE-BYPYZUCNSA-N -2 3 237.212 -0.889 20 0 BBADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000583497887 355331767 /nfs/dbraw/zinc/33/17/67/355331767.db2.gz NHJOOTHHVZLPTE-SCSAIBSYSA-N -2 3 237.212 -0.889 20 0 BBADHL CCOC(=O)c1nc([N-]S(C)(=O)=O)c[n-]1 ZINC000585730990 345985790 /nfs/dbraw/zinc/98/57/90/345985790.db2.gz VKRWBIUSDYTSOY-UHFFFAOYSA-N -2 3 233.249 -0.042 20 0 BBADHL COc1n[n-]c(NC(=O)c2cc(=O)n(C)[n-]2)n1 ZINC000613195393 360687849 /nfs/dbraw/zinc/68/78/49/360687849.db2.gz HBOOSFSIUOZRRR-UHFFFAOYSA-N -2 3 238.207 -0.495 20 0 BBADHL COc1nnc(NC(=O)c2cc(=O)n(C)[n-]2)[n-]1 ZINC000613195393 360687845 /nfs/dbraw/zinc/68/78/45/360687845.db2.gz HBOOSFSIUOZRRR-UHFFFAOYSA-N -2 3 238.207 -0.495 20 0 BBADHL COc1nc(NC(=O)c2cc(=O)n(C)[n-]2)n[n-]1 ZINC000613195393 360687840 /nfs/dbraw/zinc/68/78/40/360687840.db2.gz HBOOSFSIUOZRRR-UHFFFAOYSA-N -2 3 238.207 -0.495 20 0 BBADHL Cc1cc(S(=O)(=O)[N-]CC(=O)[O-])sn1 ZINC000630441942 364167311 /nfs/dbraw/zinc/16/73/11/364167311.db2.gz SIQPSOXKYIUHIX-UHFFFAOYSA-N -2 3 236.274 -0.186 20 0 BBADHL Cc1ccc(S(=O)(=O)[N-]CC(=O)[O-])o1 ZINC000645936148 388253100 /nfs/dbraw/zinc/25/31/00/388253100.db2.gz FYKGJOLQOFEOEU-UHFFFAOYSA-N -2 3 219.218 -0.049 20 0 BBADHL Cn1ccc(S(=O)(=O)[N-]CCC(=O)[O-])n1 ZINC000645937039 388252066 /nfs/dbraw/zinc/25/20/66/388252066.db2.gz ZVLWMGJZQSMKSM-UHFFFAOYSA-N -2 3 233.249 -0.827 20 0 BBADHL O=C([O-])CC[N-]S(=O)(=O)c1cscn1 ZINC000647639181 385057660 /nfs/dbraw/zinc/05/76/60/385057660.db2.gz KPZDQADFYGVCDO-UHFFFAOYSA-N -2 3 236.274 -0.104 20 0 BBADHL C[C@H](CN=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000649401919 398204556 /nfs/dbraw/zinc/20/45/56/398204556.db2.gz ZRPVUFAATOFTRG-RXMQYKEDSA-N -2 3 221.220 -0.141 20 0 BBADHL C[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000649401920 398204451 /nfs/dbraw/zinc/20/44/51/398204451.db2.gz ZRPVUFAATOFTRG-YFKPBYRVSA-N -2 3 221.220 -0.141 20 0 BBADHL CC1N=NC(C(=O)Nc2nnn[n-]2)=C1[O-] ZINC000676695215 487893315 /nfs/dbraw/zinc/89/33/15/487893315.db2.gz SYXIHOGDFHNPIN-UHFFFAOYSA-N -2 3 209.169 -0.811 20 0 BBADHL O=C(Nc1ncccc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000678060722 488189736 /nfs/dbraw/zinc/18/97/36/488189736.db2.gz XKWGIICJGOEQKE-UHFFFAOYSA-N -2 3 249.186 -0.364 20 0 BBADHL COc1n[n-]c(NC(=O)C2=C([O-])C(C)N=N2)n1 ZINC000679319695 488334824 /nfs/dbraw/zinc/33/48/24/488334824.db2.gz ARLWOSNFACWILE-UHFFFAOYSA-N -2 3 238.207 -0.197 20 0 BBADHL COc1nc(NC(=O)C2=C([O-])C(C)N=N2)n[n-]1 ZINC000679319695 488334822 /nfs/dbraw/zinc/33/48/22/488334822.db2.gz ARLWOSNFACWILE-UHFFFAOYSA-N -2 3 238.207 -0.197 20 0 BBADHL Cc1cnc(C(=O)NCc2nn[n-]n2)c([O-])c1 ZINC000681729974 487849185 /nfs/dbraw/zinc/84/91/85/487849185.db2.gz JLZBYUGLFZCFKH-UHFFFAOYSA-N -2 3 234.219 -0.461 20 0 BBADHL Cc1cnc(C(=O)NCc2nnn[n-]2)c([O-])c1 ZINC000681729974 487849182 /nfs/dbraw/zinc/84/91/82/487849182.db2.gz JLZBYUGLFZCFKH-UHFFFAOYSA-N -2 3 234.219 -0.461 20 0 BBADHL CC1N=NC(C(=O)[N-]c2nncn2C)=C1[O-] ZINC000681770146 487860791 /nfs/dbraw/zinc/86/07/91/487860791.db2.gz CPNXKKUFJXJWHX-UHFFFAOYSA-N -2 3 222.208 -0.195 20 0 BBADHL Cc1cc(=O)[n-]c(Cn2cnc(C(=O)[O-])n2)n1 ZINC000700436612 602310603 /nfs/dbraw/zinc/31/06/03/602310603.db2.gz RSDONZZBGXBZRV-UHFFFAOYSA-N -2 3 235.203 -0.171 20 0 BBADHL CN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000725225731 711660430 /nfs/dbraw/zinc/66/04/30/711660430.db2.gz YJQAFDKMAZDBQY-UHFFFAOYSA-N -2 3 248.264 -0.663 20 0 BBADHL CO[N-]C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000727483420 583659953 /nfs/dbraw/zinc/65/99/53/583659953.db2.gz QDXRLKOQRVJQRB-UHFFFAOYSA-N -2 3 224.216 -0.200 20 0 BBADHL CN(CC(=O)[O-])Cc1cc(=O)n2[n-]ccc2n1 ZINC000737988300 582853583 /nfs/dbraw/zinc/85/35/83/582853583.db2.gz KRQDSWVSEUCXDM-UHFFFAOYSA-N -2 3 236.231 -0.461 20 0 BBADHL CSc1nc(NC(=O)CNC(=O)[O-])n[n-]1 ZINC000738215708 585041579 /nfs/dbraw/zinc/04/15/79/585041579.db2.gz MRQAHGZLKMETSZ-UHFFFAOYSA-N -2 3 231.237 -0.267 20 0 BBADHL CSc1n[n-]c(NC(=O)CNC(=O)[O-])n1 ZINC000738215708 585041578 /nfs/dbraw/zinc/04/15/78/585041578.db2.gz MRQAHGZLKMETSZ-UHFFFAOYSA-N -2 3 231.237 -0.267 20 0 BBADHL O=C([O-])CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000738610368 599807021 /nfs/dbraw/zinc/80/70/21/599807021.db2.gz VKNJFVLEPJUOLM-UHFFFAOYSA-N -2 3 248.194 -0.615 20 0 BBADHL CC(C)(CNC(=O)[O-])NC(=O)c1cn[n-]n1 ZINC000738749466 602305065 /nfs/dbraw/zinc/30/50/65/602305065.db2.gz OZWAEYKPVVZYOT-UHFFFAOYSA-N -2 3 227.224 -0.419 20 0 BBADHL CC(C)[C@H](CNC(=O)c1cn[n-]n1)NC(=O)[O-] ZINC000738781995 602776948 /nfs/dbraw/zinc/77/69/48/602776948.db2.gz GHZRTIRCQNZLTN-LURJTMIESA-N -2 3 241.251 -0.173 20 0 BBADHL CC(C)[C@@H](CNC(=O)c1cn[n-]n1)NC(=O)[O-] ZINC000738781998 602776843 /nfs/dbraw/zinc/77/68/43/602776843.db2.gz GHZRTIRCQNZLTN-ZCFIWIBFSA-N -2 3 241.251 -0.173 20 0 BBADHL O=C([O-])N1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000739386589 605700873 /nfs/dbraw/zinc/70/08/73/605700873.db2.gz IVSWJJSLAUEDTO-LURJTMIESA-N -2 3 239.235 -0.323 20 0 BBADHL O=C([O-])N1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000739386590 603191729 /nfs/dbraw/zinc/19/17/29/603191729.db2.gz IVSWJJSLAUEDTO-ZCFIWIBFSA-N -2 3 239.235 -0.323 20 0 BBADHL CCN(CCNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000739435743 644846784 /nfs/dbraw/zinc/84/67/84/644846784.db2.gz TZDUJCFILAXQHX-UHFFFAOYSA-N -2 3 227.224 -0.466 20 0 BBADHL CN(CCNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000739697604 602295033 /nfs/dbraw/zinc/29/50/33/602295033.db2.gz MQBHUXNHAJGODZ-UHFFFAOYSA-N -2 3 213.197 -0.856 20 0 BBADHL CN(CCN=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000739701543 602292837 /nfs/dbraw/zinc/29/28/37/602292837.db2.gz TXAOBIWZLVABEI-UHFFFAOYSA-N -2 3 236.235 -0.252 20 0 BBADHL O=C([O-])COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739819312 599722958 /nfs/dbraw/zinc/72/29/58/599722958.db2.gz QAVOPXGXWFLHJM-UHFFFAOYSA-N -2 3 249.178 -0.188 20 0 BBADHL O=C([O-])Cn1ccc(NC(=O)c2cn[n-]n2)n1 ZINC000739919151 599741237 /nfs/dbraw/zinc/74/12/37/599741237.db2.gz HFUKHUUVKIMDCT-UHFFFAOYSA-N -2 3 236.191 -0.662 20 0 BBADHL O=C([O-])Cn1ccc(NC(=O)c2c[n-]nn2)n1 ZINC000739919151 599741235 /nfs/dbraw/zinc/74/12/35/599741235.db2.gz HFUKHUUVKIMDCT-UHFFFAOYSA-N -2 3 236.191 -0.662 20 0 BBADHL Cc1nc(C)c(CC(=O)NCC(=O)[O-])c(=O)[n-]1 ZINC000740217050 597025459 /nfs/dbraw/zinc/02/54/59/597025459.db2.gz JZYAXTAPZMFDQI-UHFFFAOYSA-N -2 3 239.231 -0.458 20 0 BBADHL O=C([O-])N1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000740398088 602533746 /nfs/dbraw/zinc/53/37/46/602533746.db2.gz LBWUGQQELHVTRW-RXMQYKEDSA-N -2 3 225.208 -0.713 20 0 BBADHL O=C([O-])N1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000740398090 602533733 /nfs/dbraw/zinc/53/37/33/602533733.db2.gz LBWUGQQELHVTRW-YFKPBYRVSA-N -2 3 225.208 -0.713 20 0 BBADHL O=C([O-])N1CCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000740417893 602590172 /nfs/dbraw/zinc/59/01/72/602590172.db2.gz RZTNTMWXDAQBFF-LURJTMIESA-N -2 3 239.235 -0.323 20 0 BBADHL O=C([O-])N1CCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000740417895 602590202 /nfs/dbraw/zinc/59/02/02/602590202.db2.gz RZTNTMWXDAQBFF-ZCFIWIBFSA-N -2 3 239.235 -0.323 20 0 BBADHL O=C([O-])N(CCNC(=O)c1cn[n-]n1)C1CC1 ZINC000740441086 602028697 /nfs/dbraw/zinc/02/86/97/602028697.db2.gz XLZCVZDYIIOUSN-UHFFFAOYSA-N -2 3 239.235 -0.323 20 0 BBADHL O=C([O-])CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000740484789 597028537 /nfs/dbraw/zinc/02/85/37/597028537.db2.gz BSGZBTVJZSNKKJ-UHFFFAOYSA-N -2 3 239.183 -0.065 20 0 BBADHL O=C([O-])N1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000740507704 602492432 /nfs/dbraw/zinc/49/24/32/602492432.db2.gz UCQFUHQFEXSARH-LURJTMIESA-N -2 3 248.246 -0.109 20 0 BBADHL O=C([O-])N1CC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000740507705 602492453 /nfs/dbraw/zinc/49/24/53/602492453.db2.gz UCQFUHQFEXSARH-ZCFIWIBFSA-N -2 3 248.246 -0.109 20 0 BBADHL O=C([O-])NC[C@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000740613136 603042977 /nfs/dbraw/zinc/04/29/77/603042977.db2.gz PUEMZZGUQGMIKQ-LURJTMIESA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])NC[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000740613138 603042680 /nfs/dbraw/zinc/04/26/80/603042680.db2.gz PUEMZZGUQGMIKQ-ZCFIWIBFSA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])NCCC(=O)Nc1ccncc1[O-] ZINC000740642879 602436008 /nfs/dbraw/zinc/43/60/08/602436008.db2.gz NAWUPYMSQDKBBS-UHFFFAOYSA-N -2 3 225.204 -0.195 20 0 BBADHL O=C([O-])NCCCNC(=O)c1cn[n-]n1 ZINC000740654126 602345408 /nfs/dbraw/zinc/34/54/08/602345408.db2.gz UXGRCNXZXZZGRE-UHFFFAOYSA-N -2 3 213.197 -0.808 20 0 BBADHL O=C([O-])NCCCN=c1ncnc2[nH][n-]cc1-2 ZINC000740654657 602374524 /nfs/dbraw/zinc/37/45/24/602374524.db2.gz NGAMOGOYYUYWDR-UHFFFAOYSA-N -2 3 236.235 -0.204 20 0 BBADHL Cc1ccc([O-])c(NC(=O)c2cc(=O)[nH][n-]2)n1 ZINC000753471187 585259362 /nfs/dbraw/zinc/25/93/62/585259362.db2.gz SQVZCITUGTYNSA-UHFFFAOYSA-N -2 3 234.215 -0.090 20 0 BBADHL O=C(Nc1n[n-]c(C2CCC2)n1)c1cc(=O)[nH][n-]1 ZINC000760449002 585392776 /nfs/dbraw/zinc/39/27/76/585392776.db2.gz CDZFIDYIIJGOMR-UHFFFAOYSA-N -2 3 248.246 -0.113 20 0 BBADHL O=C([N-]OCC(F)F)c1n[nH]c(=O)[n-]1 ZINC000760457896 585392740 /nfs/dbraw/zinc/39/27/40/585392740.db2.gz BXOGSRKJISOHSY-UHFFFAOYSA-N -2 3 208.124 -0.563 20 0 BBADHL O=C(Nc1cc(Cl)[n-]n1)c1cc(=O)[nH][n-]1 ZINC000765026584 585479753 /nfs/dbraw/zinc/47/97/53/585479753.db2.gz BSGWVKMIVWSZHW-UHFFFAOYSA-N -2 3 227.611 -0.123 20 0 BBADHL CCO[N-]C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000765973966 585494890 /nfs/dbraw/zinc/49/48/90/585494890.db2.gz JVBVHVSDQLTDHS-UHFFFAOYSA-N -2 3 226.236 -0.071 20 0 BBADHL O=C([N-]Cc1nn[n-]n1)C(F)(F)C1(O)CCC1 ZINC000767458810 585520490 /nfs/dbraw/zinc/52/04/90/585520490.db2.gz CWNBYPZHICBFBH-UHFFFAOYSA-N -2 3 247.205 -0.634 20 0 BBADHL O=C(NCc1nn[n-]n1)c1ccc([O-])c(F)c1 ZINC000768076752 585531349 /nfs/dbraw/zinc/53/13/49/585531349.db2.gz BATYYZAXLASBJS-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL O=C(NCc1nnn[n-]1)c1ccc([O-])c(F)c1 ZINC000768076752 585531348 /nfs/dbraw/zinc/53/13/48/585531348.db2.gz BATYYZAXLASBJS-UHFFFAOYSA-N -2 3 237.194 -0.026 20 0 BBADHL COc1nc([N-]C(=O)c2cccc[n+]2[O-])n[n-]1 ZINC000770457334 585574257 /nfs/dbraw/zinc/57/42/57/585574257.db2.gz RECQWBNMINSYIN-UHFFFAOYSA-N -2 3 235.203 -0.301 20 0 BBADHL CO[N-]C(=O)CNC(=O)c1cccc([O-])c1 ZINC000771612864 585597819 /nfs/dbraw/zinc/59/78/19/585597819.db2.gz RPYJCHMJVIJMJA-UHFFFAOYSA-N -2 3 224.216 -0.200 20 0 BBADHL O=C(C[C@@H]1NC(=O)[N-]C1=O)[N-]Oc1ccccc1 ZINC000773466961 585637431 /nfs/dbraw/zinc/63/74/31/585637431.db2.gz POUCHNPZMGTEAL-QMMMGPOBSA-N -2 3 249.226 -0.305 20 0 BBADHL CCO[N-]C(=O)CC(O)CC(=O)[N-]OCC ZINC000773750095 585643041 /nfs/dbraw/zinc/64/30/41/585643041.db2.gz JKOQGTQJMOMCLO-UHFFFAOYSA-N -2 3 234.252 -0.737 20 0 BBADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cncc([O-])c1 ZINC000774950809 585669778 /nfs/dbraw/zinc/66/97/78/585669778.db2.gz XBHFFCUQNAKNHW-UHFFFAOYSA-N -2 3 236.187 -0.032 20 0 BBADHL Cn1[n-]nnc1=NCc1nc(C(F)(F)F)n[n-]1 ZINC000775542225 585679175 /nfs/dbraw/zinc/67/91/75/585679175.db2.gz LKRSLKGCLXOHEY-UHFFFAOYSA-N -2 3 248.172 -0.619 20 0 BBADHL Cn1[n-]nnc1=NCc1n[n-]c(C(F)(F)F)n1 ZINC000775542225 585679174 /nfs/dbraw/zinc/67/91/74/585679174.db2.gz LKRSLKGCLXOHEY-UHFFFAOYSA-N -2 3 248.172 -0.619 20 0 BBADHL Cn1[n-]nnc1=NCc1nnc(C(F)(F)F)[n-]1 ZINC000775542225 585679173 /nfs/dbraw/zinc/67/91/73/585679173.db2.gz LKRSLKGCLXOHEY-UHFFFAOYSA-N -2 3 248.172 -0.619 20 0 BBADHL COc1nc([N-]C(=O)c2nonc2C)n[n-]1 ZINC000778956929 585742539 /nfs/dbraw/zinc/74/25/39/585742539.db2.gz VMAFXBZUEPKKSO-UHFFFAOYSA-N -2 3 224.180 -0.243 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)NCc1nn[n-]n1 ZINC000779664680 585758661 /nfs/dbraw/zinc/75/86/61/585758661.db2.gz FVNJIHNYMWXCFU-OWOJBTEDSA-N -2 3 246.230 -0.370 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)NCc1nnn[n-]1 ZINC000779664680 585758660 /nfs/dbraw/zinc/75/86/60/585758660.db2.gz FVNJIHNYMWXCFU-OWOJBTEDSA-N -2 3 246.230 -0.370 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)NCc1nn[n-]n1 ZINC000779664681 585758571 /nfs/dbraw/zinc/75/85/71/585758571.db2.gz FVNJIHNYMWXCFU-UPHRSURJSA-N -2 3 246.230 -0.370 20 0 BBADHL O=C(C=Cc1cncc([O-])c1)NCc1nnn[n-]1 ZINC000779664681 585758570 /nfs/dbraw/zinc/75/85/70/585758570.db2.gz FVNJIHNYMWXCFU-UPHRSURJSA-N -2 3 246.230 -0.370 20 0 BBADHL O=C([N-]N1CCCNC1=O)c1ncccc1[O-] ZINC000783670492 644758100 /nfs/dbraw/zinc/75/81/00/644758100.db2.gz ZDQFTIAFWMWVDU-UHFFFAOYSA-N -2 3 236.231 -0.153 20 0 BBADHL O=C(NCc1ncccc1[O-])c1cc(=O)[nH][n-]1 ZINC000792681380 586004106 /nfs/dbraw/zinc/00/41/06/586004106.db2.gz BCFFCAKDBXJAJR-UHFFFAOYSA-N -2 3 234.215 -0.721 20 0 BBADHL CSCCO[N-]C(=O)c1n[nH]c(=O)[n-]1 ZINC000795883691 586093912 /nfs/dbraw/zinc/09/39/12/586093912.db2.gz KRUGIKIOGVIEHQ-UHFFFAOYSA-N -2 3 218.238 -0.465 20 0 BBADHL NC(=O)CO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000798302042 586142691 /nfs/dbraw/zinc/14/26/91/586142691.db2.gz MHJQCXQOPIOGEJ-UHFFFAOYSA-N -2 3 246.169 -0.183 20 0 BBADHL Cc1n[n-]nc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000805547077 585680281 /nfs/dbraw/zinc/68/02/81/585680281.db2.gz DHPBCRIZWNIJCI-UHFFFAOYSA-N -2 3 224.180 -0.706 20 0 BBADHL CC(F)(F)C(=O)[N-]Cc1n[nH]c(=O)[n-]1 ZINC000808464011 586473675 /nfs/dbraw/zinc/47/36/75/586473675.db2.gz HINDYPCLCQMGKR-UHFFFAOYSA-N -2 3 206.152 -0.218 20 0 BBADHL COC(=O)CCCO[N-]C(=O)c1n[nH]c(=O)[n-]1 ZINC000811559932 586561142 /nfs/dbraw/zinc/56/11/42/586561142.db2.gz DUGOKFNOOLIDSG-UHFFFAOYSA-N -2 3 244.207 -0.875 20 0 BBADHL O=C([N-]OC/C=C/Cl)c1n[nH]c(=O)[n-]1 ZINC000812403887 586576069 /nfs/dbraw/zinc/57/60/69/586576069.db2.gz XUHGQJLLWMPQKD-OWOJBTEDSA-N -2 3 218.600 -0.076 20 0 BBADHL O=C([N-]OC/C=C\Cl)c1n[nH]c(=O)[n-]1 ZINC000812403896 586575947 /nfs/dbraw/zinc/57/59/47/586575947.db2.gz XUHGQJLLWMPQKD-UPHRSURJSA-N -2 3 218.600 -0.076 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]OC1CCC1 ZINC000812790284 586585026 /nfs/dbraw/zinc/58/50/26/586585026.db2.gz XJPAHOOZRNHNAR-UHFFFAOYSA-N -2 3 227.220 -0.862 20 0 BBADHL CC(C)OCCO[N-]C(=O)c1n[nH]c(=O)[n-]1 ZINC000812804789 586586785 /nfs/dbraw/zinc/58/67/85/586586785.db2.gz QBSIVQMUKSFTDS-UHFFFAOYSA-N -2 3 230.224 -0.403 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]Oc1ccccc1 ZINC000816684775 586756060 /nfs/dbraw/zinc/75/60/60/586756060.db2.gz PKISFCHWGRIIME-UHFFFAOYSA-N -2 3 249.226 -0.352 20 0 BBADHL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccccc1[O-] ZINC000816730962 586760959 /nfs/dbraw/zinc/76/09/59/586760959.db2.gz VXDURZZOFMEEJC-UHFFFAOYSA-N -2 3 236.187 -0.221 20 0 BBADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccnc(F)c1 ZINC000816731986 586760886 /nfs/dbraw/zinc/76/08/86/586760886.db2.gz NRPQVEFFHDARPB-UHFFFAOYSA-N -2 3 239.166 -0.393 20 0 BBADHL CCn1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cn1 ZINC000816732270 586760649 /nfs/dbraw/zinc/76/06/49/586760649.db2.gz ZOIYDYQTDTXDRI-UHFFFAOYSA-N -2 3 238.207 -0.710 20 0 BBADHL CCc1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)n[nH]1 ZINC000816732984 586760950 /nfs/dbraw/zinc/76/09/50/586760950.db2.gz DXKKQFBSRDZKFU-UHFFFAOYSA-N -2 3 238.207 -0.641 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]OCCC1CC1 ZINC000817437699 586805517 /nfs/dbraw/zinc/80/55/17/586805517.db2.gz RFDCHBXEGJKBMK-UHFFFAOYSA-N -2 3 241.247 -0.614 20 0 BBADHL CC(C)N(CC(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC000820014877 587012948 /nfs/dbraw/zinc/01/29/48/587012948.db2.gz HJKRCFRIHJUQIN-UHFFFAOYSA-N -2 3 214.225 -0.195 20 0 BBADHL CC(C)[C@@H](NCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000820049121 587014865 /nfs/dbraw/zinc/01/48/65/587014865.db2.gz DSDWYLWRFXFUDU-ZCFIWIBFSA-N -2 3 214.225 -0.291 20 0 BBADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ncccc1[O-] ZINC000820282266 587040651 /nfs/dbraw/zinc/04/06/51/587040651.db2.gz MMLHRIJNGLNDOU-UHFFFAOYSA-N -3 3 237.175 -0.826 20 0 BBADHL O=C(CC(F)(F)F)[N-]n1c(=O)[n-][nH]c1=O ZINC000820287647 587041448 /nfs/dbraw/zinc/04/14/48/587041448.db2.gz BGYREYGHSKFLAT-UHFFFAOYSA-N -2 3 226.114 -0.288 20 0 BBADHL O=C([O-])C1(NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC000821483531 587121817 /nfs/dbraw/zinc/12/18/17/587121817.db2.gz IKUSASMAYMDWJU-UHFFFAOYSA-N -2 3 226.236 -0.003 20 0 BBADHL O=C([O-])CCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000821524161 587125188 /nfs/dbraw/zinc/12/51/88/587125188.db2.gz GXDYLJAHSRMJDL-SSDOTTSWSA-N -2 3 241.247 -0.913 20 0 BBADHL O=C([O-])CCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000821524162 587125125 /nfs/dbraw/zinc/12/51/25/587125125.db2.gz GXDYLJAHSRMJDL-ZETCQYMHSA-N -2 3 241.247 -0.913 20 0 BBADHL O=C([O-])CC[N-]S(=O)(=O)c1ccccn1 ZINC000821524359 587121534 /nfs/dbraw/zinc/12/15/34/587121534.db2.gz FUESWJMSYIXHMA-UHFFFAOYSA-N -2 3 230.245 -0.165 20 0 BBADHL O=C(CCCc1nn[n-]n1)[N-]OCC(F)F ZINC000821937603 587147388 /nfs/dbraw/zinc/14/73/88/587147388.db2.gz KVKOBKSCUSARJZ-UHFFFAOYSA-N -2 3 235.194 -0.165 20 0 BBADHL O=C(CCCc1nnn[n-]1)[N-]OCC(F)F ZINC000821937603 587147387 /nfs/dbraw/zinc/14/73/87/587147387.db2.gz KVKOBKSCUSARJZ-UHFFFAOYSA-N -2 3 235.194 -0.165 20 0 BBADHL CSCCO[N-]C(=O)CCCc1nn[n-]n1 ZINC000822593572 587176799 /nfs/dbraw/zinc/17/67/99/587176799.db2.gz GZRJWBCOVBWARZ-UHFFFAOYSA-N -2 3 245.308 -0.067 20 0 BBADHL CSCCO[N-]C(=O)CCCc1nnn[n-]1 ZINC000822593572 587176797 /nfs/dbraw/zinc/17/67/97/587176797.db2.gz GZRJWBCOVBWARZ-UHFFFAOYSA-N -2 3 245.308 -0.067 20 0 BBADHL O=C(CCCc1nn[n-]n1)[N-]OCC1CC1 ZINC000823146123 587205338 /nfs/dbraw/zinc/20/53/38/587205338.db2.gz VSSMDUSRZPHFSU-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL O=C(CCCc1nnn[n-]1)[N-]OCC1CC1 ZINC000823146123 587205337 /nfs/dbraw/zinc/20/53/37/587205337.db2.gz VSSMDUSRZPHFSU-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL CC(C)O[N-]C(=O)CCCc1nn[n-]n1 ZINC000823301921 587214804 /nfs/dbraw/zinc/21/48/04/587214804.db2.gz JOUZOLYVTURGSV-UHFFFAOYSA-N -2 3 213.241 -0.021 20 0 BBADHL CC(C)O[N-]C(=O)CCCc1nnn[n-]1 ZINC000823301921 587214802 /nfs/dbraw/zinc/21/48/02/587214802.db2.gz JOUZOLYVTURGSV-UHFFFAOYSA-N -2 3 213.241 -0.021 20 0 BBADHL CCCO[N-]C(=O)CCCc1nn[n-]n1 ZINC000824041351 587250731 /nfs/dbraw/zinc/25/07/31/587250731.db2.gz IUTIXCONEGDLPC-UHFFFAOYSA-N -2 3 213.241 -0.020 20 0 BBADHL CCCO[N-]C(=O)CCCc1nnn[n-]1 ZINC000824041351 587250729 /nfs/dbraw/zinc/25/07/29/587250729.db2.gz IUTIXCONEGDLPC-UHFFFAOYSA-N -2 3 213.241 -0.020 20 0 BBADHL C[C@H](NC(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000825178283 587308397 /nfs/dbraw/zinc/30/83/97/587308397.db2.gz RLTGGLLDJJYMAY-YFKPBYRVSA-N -2 3 239.235 -0.655 20 0 BBADHL CO[N-]C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826166288 587351895 /nfs/dbraw/zinc/35/18/95/587351895.db2.gz DKWNUHDHVPQYAT-UHFFFAOYSA-N -2 3 238.207 -0.617 20 0 BBADHL CO[N-]C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826166288 587351894 /nfs/dbraw/zinc/35/18/94/587351894.db2.gz DKWNUHDHVPQYAT-UHFFFAOYSA-N -2 3 238.207 -0.617 20 0 BBADHL CO[N-]C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166301 587351700 /nfs/dbraw/zinc/35/17/00/587351700.db2.gz DVPQKPOZNLTHTF-MRVPVSSYSA-N -2 3 249.230 -0.422 20 0 BBADHL CO[N-]C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166301 587351699 /nfs/dbraw/zinc/35/16/99/587351699.db2.gz DVPQKPOZNLTHTF-MRVPVSSYSA-N -2 3 249.230 -0.422 20 0 BBADHL CO[N-]C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166302 587351404 /nfs/dbraw/zinc/35/14/04/587351404.db2.gz DVPQKPOZNLTHTF-QMMMGPOBSA-N -2 3 249.230 -0.422 20 0 BBADHL CO[N-]C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166302 587351403 /nfs/dbraw/zinc/35/14/03/587351403.db2.gz DVPQKPOZNLTHTF-QMMMGPOBSA-N -2 3 249.230 -0.422 20 0 BBADHL CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826166622 587351483 /nfs/dbraw/zinc/35/14/83/587351483.db2.gz TVNHHBYKXXESQB-UHFFFAOYSA-N -2 3 249.234 -0.649 20 0 BBADHL CO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826166622 587351482 /nfs/dbraw/zinc/35/14/82/587351482.db2.gz TVNHHBYKXXESQB-UHFFFAOYSA-N -2 3 249.234 -0.649 20 0 BBADHL C[C@@H](CC(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000827263012 587374390 /nfs/dbraw/zinc/37/43/90/587374390.db2.gz NAXGZRVCNGKEOH-LURJTMIESA-N -2 3 238.247 -0.200 20 0 BBADHL C[C@H](CC(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000827263017 587374314 /nfs/dbraw/zinc/37/43/14/587374314.db2.gz NAXGZRVCNGKEOH-ZCFIWIBFSA-N -2 3 238.247 -0.200 20 0 BBADHL CCO[N-]C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827409797 587380365 /nfs/dbraw/zinc/38/03/65/587380365.db2.gz RFSDCVQSIBFJNA-SSDOTTSWSA-N -2 3 232.236 -0.177 20 0 BBADHL CCO[N-]C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827409798 587380359 /nfs/dbraw/zinc/38/03/59/587380359.db2.gz RFSDCVQSIBFJNA-ZETCQYMHSA-N -2 3 232.236 -0.177 20 0 BBADHL C[C@@H](CS(=O)(=O)[N-]Cc1ccon1)C(=O)[O-] ZINC000827563014 587388308 /nfs/dbraw/zinc/38/83/08/587388308.db2.gz HYZFEHRAUKQCKA-LURJTMIESA-N -2 3 248.260 -0.185 20 0 BBADHL C[C@H](CS(=O)(=O)[N-]Cc1ccon1)C(=O)[O-] ZINC000827563016 587388590 /nfs/dbraw/zinc/38/85/90/587388590.db2.gz HYZFEHRAUKQCKA-ZCFIWIBFSA-N -2 3 248.260 -0.185 20 0 BBADHL COCCO[N-]C(=O)CCCNC(=O)[O-] ZINC000829007672 587479282 /nfs/dbraw/zinc/47/92/82/587479282.db2.gz LQXGOKHASSZYPQ-UHFFFAOYSA-N -2 3 220.225 -0.272 20 0 BBADHL COCCO[N-]C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829007848 587479536 /nfs/dbraw/zinc/47/95/36/587479536.db2.gz QKQLCBVNCPAZBZ-SSDOTTSWSA-N -2 3 232.236 -0.320 20 0 BBADHL COCCO[N-]C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000829007849 587479372 /nfs/dbraw/zinc/47/93/72/587479372.db2.gz QKQLCBVNCPAZBZ-ZETCQYMHSA-N -2 3 232.236 -0.320 20 0 BBADHL COCCO[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000829008191 587479519 /nfs/dbraw/zinc/47/95/19/587479519.db2.gz VZJHXYZJRWVTIZ-SSDOTTSWSA-N -2 3 234.252 -0.074 20 0 BBADHL COCCO[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000829008193 587479288 /nfs/dbraw/zinc/47/92/88/587479288.db2.gz VZJHXYZJRWVTIZ-ZETCQYMHSA-N -2 3 234.252 -0.074 20 0 BBADHL COCCO[N-]C(=O)CC1CN(C(=O)[O-])C1 ZINC000829008247 587479502 /nfs/dbraw/zinc/47/95/02/587479502.db2.gz WHDJGMNCBPTYCK-UHFFFAOYSA-N -2 3 232.236 -0.320 20 0 BBADHL CO[N-]C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829061591 587481186 /nfs/dbraw/zinc/48/11/86/587481186.db2.gz PJMGUCBPCCTHJO-LURJTMIESA-N -2 3 218.209 -0.567 20 0 BBADHL CO[N-]C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829061592 587481048 /nfs/dbraw/zinc/48/10/48/587481048.db2.gz PJMGUCBPCCTHJO-ZCFIWIBFSA-N -2 3 218.209 -0.567 20 0 BBADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CNC(=O)[O-] ZINC000830774581 587569284 /nfs/dbraw/zinc/56/92/84/587569284.db2.gz JUIVRFKMSDXGCX-UHFFFAOYSA-N -2 3 242.191 -0.598 20 0 BBADHL COCCO[N-]C(=O)CCSCC(=O)[O-] ZINC000831767351 587631065 /nfs/dbraw/zinc/63/10/65/587631065.db2.gz LQPLLONFTFGRCM-UHFFFAOYSA-N -2 3 237.277 -0.112 20 0 BBADHL COCCO[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC000831768159 587630884 /nfs/dbraw/zinc/63/08/84/587630884.db2.gz YKYNAJOERXZTEQ-LURJTMIESA-N -2 3 205.210 -0.209 20 0 BBADHL COCCO[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC000831768160 587631002 /nfs/dbraw/zinc/63/10/02/587631002.db2.gz YKYNAJOERXZTEQ-ZCFIWIBFSA-N -2 3 205.210 -0.209 20 0 BBADHL O=C([O-])N1CC([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000831851918 587634371 /nfs/dbraw/zinc/63/43/71/587634371.db2.gz FQDWQSCHWGHRAQ-UHFFFAOYSA-N -2 3 246.248 -0.950 20 0 BBADHL O=C([O-])N1CC(N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000831852369 587634710 /nfs/dbraw/zinc/63/47/10/587634710.db2.gz OXCWUOKHLJQVSS-UHFFFAOYSA-N -2 3 234.219 -0.500 20 0 BBADHL O=C(Cc1cncc([O-])c1)[N-]OCCO ZINC000832406516 587658623 /nfs/dbraw/zinc/65/86/23/587658623.db2.gz XNQDHTCJBCLXEC-UHFFFAOYSA-N -2 3 212.205 -0.630 20 0 BBADHL CCC(F)(F)C(=O)[N-]CC(=O)[N-]OC ZINC000832745976 587682347 /nfs/dbraw/zinc/68/23/47/587682347.db2.gz UUDYYXIUMKTWQQ-UHFFFAOYSA-N -2 3 210.180 -0.175 20 0 BBADHL CO[N-]C(=O)C[N-]C(=O)C(C)(Cl)Cl ZINC000832758045 587685116 /nfs/dbraw/zinc/68/51/16/587685116.db2.gz RGDWISLQQXDPQR-UHFFFAOYSA-N -2 3 229.063 -0.026 20 0 BBADHL CC(C)(CC(=O)[O-])NCc1n[nH]c(=O)[n-]1 ZINC000833456514 587715259 /nfs/dbraw/zinc/71/52/59/587715259.db2.gz YTNVYGGTMMNQKN-UHFFFAOYSA-N -2 3 214.225 -0.147 20 0 BBADHL CC(C)(NCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000833460676 587715935 /nfs/dbraw/zinc/71/59/35/587715935.db2.gz LZOKMRADVPOYMS-UHFFFAOYSA-N -2 3 200.198 -0.537 20 0 BBADHL C[C@@]1(C(=O)[O-])CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000833554790 587719530 /nfs/dbraw/zinc/71/95/30/587719530.db2.gz KXPBGAQSINHDFZ-SECBINFHSA-N -2 3 226.236 -0.193 20 0 BBADHL C[C@]1(C(=O)[O-])CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000833554791 587719543 /nfs/dbraw/zinc/71/95/43/587719543.db2.gz KXPBGAQSINHDFZ-VIFPVBQESA-N -2 3 226.236 -0.193 20 0 BBADHL NC(=O)CO[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000833984309 587741465 /nfs/dbraw/zinc/74/14/65/587741465.db2.gz CHGUUGCURLTEDL-UHFFFAOYSA-N -2 3 245.235 -0.900 20 0 BBADHL O=C([O-])N1CC(C(=O)[N-]C2=NCCS2)C1 ZINC000834014764 587742017 /nfs/dbraw/zinc/74/20/17/587742017.db2.gz DTRUUSMXPFQDGC-UHFFFAOYSA-N -2 3 229.261 -0.185 20 0 BBADHL O=C([O-])N1CC(CNC(=O)c2cnn[n-]2)C1 ZINC000834037371 587743193 /nfs/dbraw/zinc/74/31/93/587743193.db2.gz ZQPLCBQGMIQLEZ-UHFFFAOYSA-N -2 3 225.208 -0.856 20 0 BBADHL O=C([O-])N1CC(CNC(=O)c2cn[n-]n2)C1 ZINC000834037371 587743191 /nfs/dbraw/zinc/74/31/91/587743191.db2.gz ZQPLCBQGMIQLEZ-UHFFFAOYSA-N -2 3 225.208 -0.856 20 0 BBADHL O=C([O-])N1CC(CNC(=O)c2c[n-]nn2)C1 ZINC000834037371 587743189 /nfs/dbraw/zinc/74/31/89/587743189.db2.gz ZQPLCBQGMIQLEZ-UHFFFAOYSA-N -2 3 225.208 -0.856 20 0 BBADHL O=C([O-])N1CC(CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000834068705 587743687 /nfs/dbraw/zinc/74/36/87/587743687.db2.gz IFVWDJHYQVXEGZ-UHFFFAOYSA-N -2 3 248.246 -0.252 20 0 BBADHL O=C([O-])N[C@@H](CNC(=O)c1cnn[n-]1)C1CC1 ZINC000834147522 587747277 /nfs/dbraw/zinc/74/72/77/587747277.db2.gz NMKKTNRTRFKRCA-LURJTMIESA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])N[C@@H](CNC(=O)c1cn[n-]n1)C1CC1 ZINC000834147522 587747276 /nfs/dbraw/zinc/74/72/76/587747276.db2.gz NMKKTNRTRFKRCA-LURJTMIESA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])N[C@@H](CNC(=O)c1c[n-]nn1)C1CC1 ZINC000834147522 587747275 /nfs/dbraw/zinc/74/72/75/587747275.db2.gz NMKKTNRTRFKRCA-LURJTMIESA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])N[C@H](CNC(=O)c1cnn[n-]1)C1CC1 ZINC000834147525 587747721 /nfs/dbraw/zinc/74/77/21/587747721.db2.gz NMKKTNRTRFKRCA-ZCFIWIBFSA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])N[C@H](CNC(=O)c1cn[n-]n1)C1CC1 ZINC000834147525 587747719 /nfs/dbraw/zinc/74/77/19/587747719.db2.gz NMKKTNRTRFKRCA-ZCFIWIBFSA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])N[C@H](CNC(=O)c1c[n-]nn1)C1CC1 ZINC000834147525 587747717 /nfs/dbraw/zinc/74/77/17/587747717.db2.gz NMKKTNRTRFKRCA-ZCFIWIBFSA-N -2 3 239.235 -0.419 20 0 BBADHL O=C([O-])NCCNC(=O)c1cccc2n[n-]nc21 ZINC000834244159 587749993 /nfs/dbraw/zinc/74/99/93/587749993.db2.gz UZSKRBNOCCFYAK-UHFFFAOYSA-N -2 3 249.230 -0.045 20 0 BBADHL O=C([O-])NCCNC(=O)c1cccc2[n-]nnc21 ZINC000834244159 587749992 /nfs/dbraw/zinc/74/99/92/587749992.db2.gz UZSKRBNOCCFYAK-UHFFFAOYSA-N -2 3 249.230 -0.045 20 0 BBADHL O=C([O-])NCCNC(=O)c1cccc2nn[n-]c21 ZINC000834244159 587749991 /nfs/dbraw/zinc/74/99/91/587749991.db2.gz UZSKRBNOCCFYAK-UHFFFAOYSA-N -2 3 249.230 -0.045 20 0 BBADHL CCCO[N-]C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000844088286 588165817 /nfs/dbraw/zinc/16/58/17/588165817.db2.gz REWIQVSZGBQSHV-UHFFFAOYSA-N -2 3 243.219 -0.032 20 0 BBADHL CCO[N-]C(=O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000844274880 588178663 /nfs/dbraw/zinc/17/86/63/588178663.db2.gz JMZWQURLGPLHBU-UHFFFAOYSA-N -2 3 236.235 -0.794 20 0 BBADHL Cc1ccc([O-])c(C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000844346707 588186552 /nfs/dbraw/zinc/18/65/52/588186552.db2.gz PAUQGDUWDUNLGY-UHFFFAOYSA-N -2 3 249.226 -0.103 20 0 BBADHL CCO[N-]C(=O)C[N-]C(=O)C(C)(F)F ZINC000844780260 588216912 /nfs/dbraw/zinc/21/69/12/588216912.db2.gz YICZWWXGHNAAKE-UHFFFAOYSA-N -2 3 210.180 -0.175 20 0 BBADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000846002460 588252991 /nfs/dbraw/zinc/25/29/91/588252991.db2.gz JRQNAJVZLSAJPN-UHFFFAOYSA-N -2 3 248.260 -0.374 20 0 BBADHL CCO[N-]C(=O)CNC(=O)c1cncc([O-])c1 ZINC000846490382 588267646 /nfs/dbraw/zinc/26/76/46/588267646.db2.gz JJOKABPBDGWNJY-UHFFFAOYSA-N -2 3 239.231 -0.415 20 0 BBADHL Cc1ccc(C(=O)NN2CC(=O)[N-]C2=O)c([O-])c1 ZINC000849193556 588461064 /nfs/dbraw/zinc/46/10/64/588461064.db2.gz FWOHITYKLRJFBH-UHFFFAOYSA-N -2 3 249.226 -0.103 20 0 BBADHL Cc1cccc(C(=O)NN2CC(=O)[N-]C2=O)c1[O-] ZINC000849193651 588461218 /nfs/dbraw/zinc/46/12/18/588461218.db2.gz PYPILKLJHUYJCZ-UHFFFAOYSA-N -2 3 249.226 -0.103 20 0 BBADHL CCc1n[nH]cc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000854610575 588797056 /nfs/dbraw/zinc/79/70/56/588797056.db2.gz JEWJRMDBMJCBRN-UHFFFAOYSA-N -2 3 238.207 -0.641 20 0 BBADHL O=C([N-]n1c(=O)[n-][nH]c1=O)C1(F)CC1 ZINC000854611607 588797279 /nfs/dbraw/zinc/79/72/79/588797279.db2.gz BGSLNYNNZZSNQA-UHFFFAOYSA-N -2 3 202.145 -0.739 20 0 BBADHL C[C@@H](C(=O)[N-]n1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC000854613824 588797492 /nfs/dbraw/zinc/79/74/92/588797492.db2.gz VNIMLHLNBYOYKN-REOHCLBHSA-N -2 3 240.141 -0.042 20 0 BBADHL C[C@H](C(=O)[N-]n1c(=O)[n-][nH]c1=O)C(F)(F)F ZINC000854613835 588797545 /nfs/dbraw/zinc/79/75/45/588797545.db2.gz VNIMLHLNBYOYKN-UWTATZPHSA-N -2 3 240.141 -0.042 20 0 BBADHL O=C(CN1CC(=O)[N-]C1=O)[N-]OCC1CCC1 ZINC000856349422 588869560 /nfs/dbraw/zinc/86/95/60/588869560.db2.gz NSQLQDZFIMNQJW-UHFFFAOYSA-N -2 3 241.247 -0.614 20 0 BBADHL O=C([N-]OCC1CCC1)c1n[nH]c(=O)[n-]1 ZINC000857339893 588906368 /nfs/dbraw/zinc/90/63/68/588906368.db2.gz YGBRGLALRZQJMA-UHFFFAOYSA-N -2 3 212.209 -0.028 20 0 BBADHL CCn1ncn([N-]C(=O)c2cncc([O-])c2)c1=O ZINC000857511592 645581232 /nfs/dbraw/zinc/58/12/32/645581232.db2.gz VIMDNIILLDZBTK-UHFFFAOYSA-N -2 3 249.230 -0.451 20 0 BBADHL COCCO[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000859887338 589068934 /nfs/dbraw/zinc/06/89/34/589068934.db2.gz BETINNIUHPGVGD-UHFFFAOYSA-N -2 3 213.193 -0.510 20 0 BBADHL CCOCCO[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000860935785 589135136 /nfs/dbraw/zinc/13/51/36/589135136.db2.gz MCBOBTIIUMSLAN-UHFFFAOYSA-N -2 3 227.220 -0.120 20 0 BBADHL COCCCO[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000861695116 589174961 /nfs/dbraw/zinc/17/49/61/589174961.db2.gz KYVQERICUHNRGS-UHFFFAOYSA-N -2 3 227.220 -0.120 20 0 BBADHL CC(C)(CO)O[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000861880749 589181371 /nfs/dbraw/zinc/18/13/71/589181371.db2.gz QLUOLUJBHWHRAZ-UHFFFAOYSA-N -2 3 227.220 -0.386 20 0 BBADHL CC(C)[C@@H](CO)O[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000861907215 589182871 /nfs/dbraw/zinc/18/28/71/589182871.db2.gz KSKCGRYVDAFJNW-MRVPVSSYSA-N -2 3 241.247 -0.140 20 0 BBADHL CC(C)[C@H](CO)O[N-]C(=O)c1cc(=O)[n-]cn1 ZINC000861907216 589182686 /nfs/dbraw/zinc/18/26/86/589182686.db2.gz KSKCGRYVDAFJNW-QMMMGPOBSA-N -2 3 241.247 -0.140 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OCC(F)F ZINC000867409139 588262975 /nfs/dbraw/zinc/26/29/75/588262975.db2.gz OYIPWDCGHBCASU-UHFFFAOYSA-N -2 3 221.167 -0.555 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OCC(F)F ZINC000867409139 588262974 /nfs/dbraw/zinc/26/29/74/588262974.db2.gz OYIPWDCGHBCASU-UHFFFAOYSA-N -2 3 221.167 -0.555 20 0 BBADHL CSCCO[N-]C(=O)CCc1nnn[n-]1 ZINC000867925733 589539816 /nfs/dbraw/zinc/53/98/16/589539816.db2.gz GSYOGKSQSXYAOE-UHFFFAOYSA-N -2 3 231.281 -0.457 20 0 BBADHL CSCCO[N-]C(=O)CCc1nn[n-]n1 ZINC000867925733 589539815 /nfs/dbraw/zinc/53/98/15/589539815.db2.gz GSYOGKSQSXYAOE-UHFFFAOYSA-N -2 3 231.281 -0.457 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OC/C=C/Cl ZINC000868468901 589559655 /nfs/dbraw/zinc/55/96/55/589559655.db2.gz DJHNWGDJTJQZAI-DAFODLJHSA-N -2 3 231.643 -0.067 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OC/C=C/Cl ZINC000868468901 589559650 /nfs/dbraw/zinc/55/96/50/589559650.db2.gz DJHNWGDJTJQZAI-DAFODLJHSA-N -2 3 231.643 -0.067 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OC/C=C\Cl ZINC000868468905 589559619 /nfs/dbraw/zinc/55/96/19/589559619.db2.gz DJHNWGDJTJQZAI-RJRFIUFISA-N -2 3 231.643 -0.067 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OC/C=C\Cl ZINC000868468905 589559618 /nfs/dbraw/zinc/55/96/18/589559618.db2.gz DJHNWGDJTJQZAI-RJRFIUFISA-N -2 3 231.643 -0.067 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OCC1CC1 ZINC000868553476 582760924 /nfs/dbraw/zinc/76/09/24/582760924.db2.gz HYTKDLCJFYBODY-UHFFFAOYSA-N -2 3 211.225 -0.410 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OCC1CC1 ZINC000868553476 582760921 /nfs/dbraw/zinc/76/09/21/582760921.db2.gz HYTKDLCJFYBODY-UHFFFAOYSA-N -2 3 211.225 -0.410 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OCCC1CC1 ZINC000868554304 589563989 /nfs/dbraw/zinc/56/39/89/589563989.db2.gz QWRWYCSTNYFHTG-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OCCC1CC1 ZINC000868554304 589563987 /nfs/dbraw/zinc/56/39/87/589563987.db2.gz QWRWYCSTNYFHTG-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OC1CCC1 ZINC000868658927 589570800 /nfs/dbraw/zinc/57/08/00/589570800.db2.gz NFELJRNWLRCQJS-UHFFFAOYSA-N -2 3 211.225 -0.267 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OC1CCC1 ZINC000868658927 589570799 /nfs/dbraw/zinc/57/07/99/589570799.db2.gz NFELJRNWLRCQJS-UHFFFAOYSA-N -2 3 211.225 -0.267 20 0 BBADHL O=C(CCc1nnn[n-]1)[N-]OCC1CCC1 ZINC000869305808 589597262 /nfs/dbraw/zinc/59/72/62/589597262.db2.gz UTVGXSHCYYYXHN-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL O=C(CCc1nn[n-]n1)[N-]OCC1CCC1 ZINC000869305808 589597260 /nfs/dbraw/zinc/59/72/60/589597260.db2.gz UTVGXSHCYYYXHN-UHFFFAOYSA-N -2 3 225.252 -0.020 20 0 BBADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1ccoc1 ZINC000871744808 589803429 /nfs/dbraw/zinc/80/34/29/589803429.db2.gz AZKKYXOTWSGYSH-ZCFIWIBFSA-N -2 3 237.208 -0.019 20 0 BBADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000871744930 589803389 /nfs/dbraw/zinc/80/33/89/589803389.db2.gz GDYGCHRRQLFCPM-NTSWFWBYSA-N -2 3 241.240 -0.883 20 0 BBADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000871744931 589803829 /nfs/dbraw/zinc/80/38/29/589803829.db2.gz GDYGCHRRQLFCPM-PHDIDXHHSA-N -2 3 241.240 -0.883 20 0 BBADHL CCOCCS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000871745745 589803799 /nfs/dbraw/zinc/80/37/99/589803799.db2.gz RUDWSSQNCUZEOI-ZCFIWIBFSA-N -2 3 243.256 -0.635 20 0 BBADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cccnc1 ZINC000871746066 589800603 /nfs/dbraw/zinc/80/06/03/589800603.db2.gz XBGSMQNJIVUHOA-SSDOTTSWSA-N -2 3 248.235 -0.217 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OCC1CCC1 ZINC000888321200 585000469 /nfs/dbraw/zinc/00/04/69/585000469.db2.gz LQBPSRRRWPRHKG-UHFFFAOYSA-N -2 3 240.267 -0.032 20 0 BBADHL CCCO[N-]C(=O)N=c1nn[n-]n1CC ZINC000888323112 585002294 /nfs/dbraw/zinc/00/22/94/585002294.db2.gz SHAXTKDQRRXHPG-UHFFFAOYSA-N -2 3 214.229 -0.422 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OC(C)C ZINC000888325373 585005452 /nfs/dbraw/zinc/00/54/52/585005452.db2.gz JEFCCEWYSWLMAW-UHFFFAOYSA-N -2 3 214.229 -0.424 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OC/C=C\Cl ZINC000888325429 585005492 /nfs/dbraw/zinc/00/54/92/585005492.db2.gz KXUHGRVCABHYNR-ARJAWSKDSA-N -2 3 246.658 -0.080 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OC/C=C/Cl ZINC000888325430 585005347 /nfs/dbraw/zinc/00/53/47/585005347.db2.gz KXUHGRVCABHYNR-ONEGZZNKSA-N -2 3 246.658 -0.080 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OC1CCC1 ZINC000888325567 585005416 /nfs/dbraw/zinc/00/54/16/585005416.db2.gz PGJBXDLDTJUKRI-UHFFFAOYSA-N -2 3 226.240 -0.280 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OCCC1CC1 ZINC000888325689 585010504 /nfs/dbraw/zinc/01/05/04/585010504.db2.gz SZPNZYCDPRLTSA-UHFFFAOYSA-N -2 3 240.267 -0.032 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OCC1CC1 ZINC000888325828 585010680 /nfs/dbraw/zinc/01/06/80/585010680.db2.gz XGJKCLBTRNMYLG-UHFFFAOYSA-N -2 3 226.240 -0.422 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OCCSC ZINC000888328306 585012017 /nfs/dbraw/zinc/01/20/17/585012017.db2.gz JVHYWDSUHQTRQD-UHFFFAOYSA-N -2 3 246.296 -0.469 20 0 BBADHL CCn1[n-]nnc1=NC(=O)[N-]OCC(F)F ZINC000888329848 585012242 /nfs/dbraw/zinc/01/22/42/585012242.db2.gz MNCOIPXVFNBHFL-UHFFFAOYSA-N -2 3 236.182 -0.567 20 0 BBADHL CCO[N-]C(=O)N=c1nn[n-]n1CC ZINC000888331354 585012176 /nfs/dbraw/zinc/01/21/76/585012176.db2.gz LKVNJMIOJGGHSO-UHFFFAOYSA-N -2 3 200.202 -0.812 20 0 BBADHL CCO[N-]C(=O)CNc1cc(=O)[n-]cn1 ZINC000894396761 583448282 /nfs/dbraw/zinc/44/82/82/583448282.db2.gz ANNLBXCZBKALKW-UHFFFAOYSA-N -2 3 212.209 -0.338 20 0 BBADHL CCO[N-]C(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000894399567 635889589 /nfs/dbraw/zinc/88/95/89/635889589.db2.gz WHYGLHFLUWWWPV-UHFFFAOYSA-N -2 3 226.236 -0.030 20 0 BBADHL CSCC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC000898750612 584157145 /nfs/dbraw/zinc/15/71/45/584157145.db2.gz IFMIHPRNHZEGBW-UHFFFAOYSA-N -2 3 229.261 -0.133 20 0 BBADHL CN(C)CC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC000898754445 584156966 /nfs/dbraw/zinc/15/69/66/584156966.db2.gz VSIPNKGJWRQQIH-UHFFFAOYSA-N -2 3 226.236 -0.934 20 0 BBADHL O=C(NCc1nc([O-])cc(=O)[n-]1)C1CC1 ZINC000898754467 584157515 /nfs/dbraw/zinc/15/75/15/584157515.db2.gz WDRXNZSEOZNOIB-UHFFFAOYSA-N -2 3 209.205 -0.086 20 0 BBADHL C[C@@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)N(C)C ZINC000898755142 584157231 /nfs/dbraw/zinc/15/72/31/584157231.db2.gz MPLAYGRYCIKQPG-LURJTMIESA-N -2 3 240.263 -0.546 20 0 BBADHL C[C@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)N(C)C ZINC000898755143 584157419 /nfs/dbraw/zinc/15/74/19/584157419.db2.gz MPLAYGRYCIKQPG-ZCFIWIBFSA-N -2 3 240.263 -0.546 20 0 BBADHL O=C(NCc1nc([O-])cc(=O)[n-]1)C1CSC1 ZINC000898755762 584157405 /nfs/dbraw/zinc/15/74/05/584157405.db2.gz XIDBAMKBECDEON-UHFFFAOYSA-N -2 3 241.272 -0.133 20 0 BBADHL CO[C@H](C)CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC000903033337 584718429 /nfs/dbraw/zinc/71/84/29/584718429.db2.gz TZRFIOGSDPLJHL-RITPCOANSA-N -2 3 243.256 -0.637 20 0 BBADHL CO[C@@H](C)CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC000903033338 584718677 /nfs/dbraw/zinc/71/86/77/584718677.db2.gz TZRFIOGSDPLJHL-WDSKDSINSA-N -2 3 243.256 -0.637 20 0 BBADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1ccoc1 ZINC000903034689 584719061 /nfs/dbraw/zinc/71/90/61/584719061.db2.gz AZKKYXOTWSGYSH-LURJTMIESA-N -2 3 237.208 -0.019 20 0 BBADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000903034930 584718918 /nfs/dbraw/zinc/71/89/18/584718918.db2.gz GDYGCHRRQLFCPM-RITPCOANSA-N -2 3 241.240 -0.883 20 0 BBADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000903034931 584719079 /nfs/dbraw/zinc/71/90/79/584719079.db2.gz GDYGCHRRQLFCPM-WDSKDSINSA-N -2 3 241.240 -0.883 20 0 BBADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cccnc1 ZINC000903035941 584719313 /nfs/dbraw/zinc/71/93/13/584719313.db2.gz XBGSMQNJIVUHOA-ZETCQYMHSA-N -2 3 248.235 -0.217 20 0 BBADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)CC1(F)CC1 ZINC000903847182 584807532 /nfs/dbraw/zinc/80/75/32/584807532.db2.gz TZAQWRVRFQOSKW-RXMQYKEDSA-N -2 3 243.231 -0.169 20 0 BBADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)CC1(F)CC1 ZINC000906004758 638021395 /nfs/dbraw/zinc/02/13/95/638021395.db2.gz TZAQWRVRFQOSKW-YFKPBYRVSA-N -2 3 243.231 -0.169 20 0 BBADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCCO ZINC000911804060 639825646 /nfs/dbraw/zinc/82/56/46/639825646.db2.gz CCWDVLUPOWZTNT-LURJTMIESA-N -2 3 205.210 -0.473 20 0 BBADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCCO ZINC000911804062 639826283 /nfs/dbraw/zinc/82/62/83/639826283.db2.gz CCWDVLUPOWZTNT-ZCFIWIBFSA-N -2 3 205.210 -0.473 20 0 BBADHL O=C([O-])C12CC(C(=O)[N-]OCCO)(C1)C2 ZINC000911804338 639825768 /nfs/dbraw/zinc/82/57/68/639825768.db2.gz DFKXVBFRMDXRGA-UHFFFAOYSA-N -2 3 215.205 -0.719 20 0 BBADHL O=C([O-])c1cccc(CC(=O)[N-]OCCO)c1 ZINC000911804437 639825478 /nfs/dbraw/zinc/82/54/78/639825478.db2.gz DYQDVYLNFVRJJN-UHFFFAOYSA-N -2 3 239.227 -0.033 20 0 BBADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCCO ZINC000911805306 639827612 /nfs/dbraw/zinc/82/76/12/639827612.db2.gz MERYSDZVVKZLHV-UHFFFAOYSA-N -2 3 219.237 -0.083 20 0 BBADHL O=C([O-])CSCCC(=O)[N-]OCCO ZINC000911806288 639827498 /nfs/dbraw/zinc/82/74/98/639827498.db2.gz RZJUJRFVPUWADN-UHFFFAOYSA-N -2 3 223.250 -0.766 20 0 BBADHL O=C([O-])c1ccc(CC(=O)[N-]OCCO)cc1 ZINC000911806327 639827888 /nfs/dbraw/zinc/82/78/88/639827888.db2.gz SRJAKYLOCUIVQB-UHFFFAOYSA-N -2 3 239.227 -0.033 20 0 BBADHL COCCO[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911807167 639828209 /nfs/dbraw/zinc/82/82/09/639828209.db2.gz IZRCWNYKMZZQKJ-UHFFFAOYSA-N -2 3 229.232 -0.065 20 0 BBADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000921687363 643741056 /nfs/dbraw/zinc/74/10/56/643741056.db2.gz CTIZBIHGXGRKEH-UHFFFAOYSA-N -2 3 248.260 -0.456 20 0 BBADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000921687690 643742136 /nfs/dbraw/zinc/74/21/36/643742136.db2.gz IWECXLXXPOSNSP-UHFFFAOYSA-N -2 3 234.233 -0.765 20 0 BBADHL