smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc(NCC[C@@H](O)C2CC2)cc(Cl)[n-]1 ZINC000897385181 963877721 /nfs/dbraw/zinc/87/77/21/963877721.db2.gz SFKTVXKPFDPIPE-SSDOTTSWSA-N -1 1 243.694 1.409 20 0 BDADMM Cc1nnc(Cc2cc(F)cc(F)c2[O-])o1 ZINC001250337558 967727379 /nfs/dbraw/zinc/72/73/79/967727379.db2.gz BYEADKFNNAXPEB-UHFFFAOYSA-N -1 1 226.182 1.953 20 0 BDADMM CCCCS(=O)(=O)[N-]c1cn(CC)cn1 ZINC001253792935 969411241 /nfs/dbraw/zinc/41/12/41/969411241.db2.gz FIMHSQPYUSHPNA-UHFFFAOYSA-N -1 1 231.321 1.445 20 0 BDADMM CCc1nnc(-c2n[n-]nc2C(F)(F)F)o1 ZINC001255106699 969939605 /nfs/dbraw/zinc/93/96/05/969939605.db2.gz CDJRNLQUAVRASP-UHFFFAOYSA-N -1 1 233.153 1.436 20 0 BDADMM C[C@H]1CCC[C@H](CCOCc2nn[n-]n2)C1 ZINC001332448371 975131018 /nfs/dbraw/zinc/13/10/18/975131018.db2.gz VJTSEQCKLYLVIK-VHSXEESVSA-N -1 1 224.308 1.933 20 0 BDADMM CCN(C(=O)c1cnncc1[O-])[C@H](C)C(C)C ZINC001335921674 977362074 /nfs/dbraw/zinc/36/20/74/977362074.db2.gz XUUSFEDUWKBVNQ-SECBINFHSA-N -1 1 237.303 1.689 20 0 BDADMM CO[C@H]1CCC[C@@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001337288545 978265817 /nfs/dbraw/zinc/26/58/17/978265817.db2.gz CDRZPTHWPZUIEU-YUMQZZPRSA-N -1 1 239.275 1.177 20 0 BDADMM [O-]c1cccc(CN2CC(F)(CO)C2)c1Cl ZINC001232783803 978275958 /nfs/dbraw/zinc/27/59/58/978275958.db2.gz CIIKBGFDSZOXHB-UHFFFAOYSA-N -1 1 245.681 1.562 20 0 BDADMM O=C1CCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973479 978374033 /nfs/dbraw/zinc/37/40/33/978374033.db2.gz ZSBZXBPBINROSZ-UHFFFAOYSA-N -1 1 227.210 1.445 20 0 BDADMM Cc1nc([C@@H](C)SC[C@H](C)C(=O)[O-])n[nH]1 ZINC001600667049 978717478 /nfs/dbraw/zinc/71/74/78/978717478.db2.gz PPKJCNNNEDCIHW-NTSWFWBYSA-N -1 1 229.305 1.628 20 0 BDADMM O=C([O-])[C@@H]1[C@@H](CN2CC(C(F)F)C2)C1(F)F ZINC001601747900 978842744 /nfs/dbraw/zinc/84/27/44/978842744.db2.gz DLCZFACVWMMXJV-RITPCOANSA-N -1 1 241.184 1.149 20 0 BDADMM CC(C)N1CCC[C@H]1C(=O)O[C@H](C)CC(=O)[O-] ZINC001603894001 979538181 /nfs/dbraw/zinc/53/81/81/979538181.db2.gz DNBDMDRABTUMBP-ZJUUUORDSA-N -1 1 243.303 1.266 20 0 BDADMM CN(C)C(=O)Cc1cccc([O-])c1Cl ZINC001250130883 979884843 /nfs/dbraw/zinc/88/48/43/979884843.db2.gz QYFUMEYTLOFWOY-UHFFFAOYSA-N -1 1 213.664 1.676 20 0 BDADMM C[C@@H](c1ccccc1)N(CCO)CC(=O)[O-] ZINC001607427499 980106911 /nfs/dbraw/zinc/10/69/11/980106911.db2.gz NFTKJFYEDKRMLI-JTQLQIEISA-N -1 1 223.272 1.127 20 0 BDADMM COCCNC(=O)Nc1ccc(F)cc1[O-] ZINC001186534300 980394429 /nfs/dbraw/zinc/39/44/29/980394429.db2.gz ZTKINYJNGYFOPL-UHFFFAOYSA-N -1 1 228.223 1.299 20 0 BDADMM COCCNC(=O)Nc1cccc(F)c1[O-] ZINC001186538420 980398705 /nfs/dbraw/zinc/39/87/05/980398705.db2.gz PUSCEVHPULATLE-UHFFFAOYSA-N -1 1 228.223 1.299 20 0 BDADMM O=S(=O)([N-]c1cn(CCF)cn1)C1CCC1 ZINC001188109193 980596805 /nfs/dbraw/zinc/59/68/05/980596805.db2.gz VWDGBFYDUXYRLC-UHFFFAOYSA-N -1 1 247.295 1.147 20 0 BDADMM O=S(=O)(Nc1ncc(F)cc1[O-])C1CCC1 ZINC001188108485 980596827 /nfs/dbraw/zinc/59/68/27/980596827.db2.gz FVAFCHBYGXPZPG-UHFFFAOYSA-N -1 1 246.263 1.221 20 0 BDADMM CC[C@@H]1COCCN1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595500914 981275194 /nfs/dbraw/zinc/27/51/94/981275194.db2.gz VSENYACDTMKQSW-HLTSFMKQSA-N -1 1 249.257 1.063 20 0 BDADMM CC[C@H](C)[C@@H](NCC(C)(F)F)C(=O)[O-] ZINC001594917467 982445240 /nfs/dbraw/zinc/44/52/40/982445240.db2.gz PDLXLXKNEAUIBG-NKWVEPMBSA-N -1 1 209.236 1.731 20 0 BDADMM C[C@@H](NCC1(C(=O)[O-])CCC1)c1ncco1 ZINC001589123067 982621279 /nfs/dbraw/zinc/62/12/79/982621279.db2.gz OVUFXWSJVUHCKJ-MRVPVSSYSA-N -1 1 224.260 1.580 20 0 BDADMM C=CS(=O)(=O)[N-]c1cccc(F)n1 ZINC001198567097 982758202 /nfs/dbraw/zinc/75/82/02/982758202.db2.gz OLETVTHGNISAQN-UHFFFAOYSA-N -1 1 202.210 1.106 20 0 BDADMM C=CS(=O)(=O)[N-]c1cc(F)c(F)cc1OC ZINC001198611323 982800932 /nfs/dbraw/zinc/80/09/32/982800932.db2.gz XSYGJJWKDZPUNM-UHFFFAOYSA-N -1 1 249.238 1.859 20 0 BDADMM CC[C@@H]1CCN1Cc1c(C(=O)[O-])cnn1C ZINC001589622608 982847525 /nfs/dbraw/zinc/84/75/25/982847525.db2.gz JGZIPPSQNRZAGW-MRVPVSSYSA-N -1 1 223.276 1.103 20 0 BDADMM Cc1nsc(NC2CC2)c1-c1nn[n-]n1 ZINC001592484264 983173252 /nfs/dbraw/zinc/17/32/52/983173252.db2.gz WICFWNDQFOVCDR-UHFFFAOYSA-N -1 1 222.277 1.206 20 0 BDADMM C[C@H](CN(Cc1cn(C)cn1)C1CC1)C(=O)[O-] ZINC001592609773 983183981 /nfs/dbraw/zinc/18/39/81/983183981.db2.gz NAJLBONHLOAPHI-SECBINFHSA-N -1 1 237.303 1.105 20 0 BDADMM CNC(=S)Nc1cc(Cl)ncc1[O-] ZINC001200601660 983209828 /nfs/dbraw/zinc/20/98/28/983209828.db2.gz HSHNOVRCGCVDPZ-UHFFFAOYSA-N -1 1 217.681 1.357 20 0 BDADMM [O-]c1cc(Cl)cnc1NC(=S)NC1CC1 ZINC001200621529 983265311 /nfs/dbraw/zinc/26/53/11/983265311.db2.gz RBCQKUYJFJQSNN-UHFFFAOYSA-N -1 1 243.719 1.889 20 0 BDADMM CC[C@H](C)[C@H](NCc1ccc(CO)o1)C(=O)[O-] ZINC001593614268 983320282 /nfs/dbraw/zinc/32/02/82/983320282.db2.gz ALMLHKSHLNKDIY-KWQFWETISA-N -1 1 241.287 1.361 20 0 BDADMM CCOC[C@@H](C)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226236356 974832386 /nfs/dbraw/zinc/83/23/86/974832386.db2.gz BNLPXVKWHSHLOS-SSDOTTSWSA-N -1 1 240.259 1.189 20 0 BDADMM CCCC(=O)[C@@H](CCC)OCc1nn[n-]n1 ZINC001223029727 972809318 /nfs/dbraw/zinc/80/93/18/972809318.db2.gz ORTYIPZHADBGAR-SECBINFHSA-N -1 1 226.280 1.254 20 0 BDADMM C[C@@H]1C[C@H](O)CN1Cc1cc(F)c([O-])cc1F ZINC001144647430 972903996 /nfs/dbraw/zinc/90/39/96/972903996.db2.gz FROLMTFGWFFZFD-APPZFPTMSA-N -1 1 243.253 1.626 20 0 BDADMM [O-]c1cc(F)c(CN2CC(F)C2)cc1F ZINC001144646759 972905817 /nfs/dbraw/zinc/90/58/17/972905817.db2.gz ISIWGPMIRWRWPL-UHFFFAOYSA-N -1 1 217.190 1.824 20 0 BDADMM COc1cnc(-c2cccc([O-])c2F)nc1 ZINC001243540738 970789556 /nfs/dbraw/zinc/78/95/56/970789556.db2.gz AAAVPMBAVDBVNR-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM C[C@H]1CC[C@H](OCC[P@](=O)([O-])O)C1 ZINC001224605295 973794853 /nfs/dbraw/zinc/79/48/53/973794853.db2.gz HIYACMVWJLYBRB-YUMQZZPRSA-N -1 1 208.194 1.369 20 0 BDADMM O=[P@]([O-])(O)CCOC1Cc2ccccc2C1 ZINC001224605979 973793857 /nfs/dbraw/zinc/79/38/57/973793857.db2.gz PHQCJKUPDSRHRW-UHFFFAOYSA-N -1 1 242.211 1.348 20 0 BDADMM Cn1ccnc1Nc1cc(CC(=O)[O-])ccc1F ZINC001216677393 971152335 /nfs/dbraw/zinc/15/23/35/971152335.db2.gz VMWDSPURWATZON-UHFFFAOYSA-N -1 1 249.245 1.930 20 0 BDADMM CC1(C)[C@@H]2C[C@H]([NH2+]CCP(=O)([O-])[O-])C[C@@H]21 ZINC001170719583 971646633 /nfs/dbraw/zinc/64/66/33/971646633.db2.gz FFTNDLJMIGRKLE-AYMMMOKOSA-N -1 1 233.248 1.188 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CCOCC1 ZINC001135563156 971919540 /nfs/dbraw/zinc/91/95/40/971919540.db2.gz KARLFOSARFALBZ-UHFFFAOYSA-N -1 1 225.219 1.004 20 0 BDADMM O=C(Nc1ccc(F)cc1)c1cnncc1[O-] ZINC001135591531 971934639 /nfs/dbraw/zinc/93/46/39/971934639.db2.gz NTEVBYRNTGWVDH-UHFFFAOYSA-N -1 1 233.202 1.574 20 0 BDADMM Cc1nc(=NC[C@H](C)CC(F)(F)F)o[n-]1 ZINC000396973358 957405979 /nfs/dbraw/zinc/40/59/79/957405979.db2.gz CGCVMWACGXZYOL-RXMQYKEDSA-N -1 1 223.198 1.800 20 0 BDADMM CSC[C@@H](C)NC(=O)c1ccc([O-])cn1 ZINC001136849099 972272866 /nfs/dbraw/zinc/27/28/66/972272866.db2.gz YCMOKBGZFVLIHU-SSDOTTSWSA-N -1 1 226.301 1.269 20 0 BDADMM CC[C@@H](NCc1ccc(-c2cc[nH]n2)o1)C(=O)[O-] ZINC001328400171 957676509 /nfs/dbraw/zinc/67/65/09/957676509.db2.gz DGVGBYKIHDHRMQ-SECBINFHSA-N -1 1 249.270 1.623 20 0 BDADMM Cc1cccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000084043952 957850066 /nfs/dbraw/zinc/85/00/66/957850066.db2.gz XOUTUYMDABBSIM-NWDGAFQWSA-N -1 1 235.283 1.015 20 0 BDADMM CCCCn1[nH]c(C)c(CC(=O)[O-])c1=O ZINC000104171392 958362667 /nfs/dbraw/zinc/36/26/67/958362667.db2.gz NEDNWZZBOQAZLJ-MRVPVSSYSA-N -1 1 212.249 1.096 20 0 BDADMM CCCc1n[n-]c(=NCc2cc(C)n[nH]2)o1 ZINC000381151980 958386055 /nfs/dbraw/zinc/38/60/55/958386055.db2.gz AYZDGPJXDVASDZ-UHFFFAOYSA-N -1 1 221.264 1.088 20 0 BDADMM C[C@@H]1CN(Cc2occc2C(=O)[O-])CCN1C ZINC000110724971 958395664 /nfs/dbraw/zinc/39/56/64/958395664.db2.gz PASZEMPFBFONBQ-SECBINFHSA-N -1 1 238.287 1.114 20 0 BDADMM CNCc1nc(-c2ccc(C(=O)[O-])c(C)c2)no1 ZINC001327004924 972361346 /nfs/dbraw/zinc/36/13/46/972361346.db2.gz NJDGPONSDXSRPS-UHFFFAOYSA-N -1 1 247.254 1.463 20 0 BDADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cs1 ZINC000227580753 959959849 /nfs/dbraw/zinc/95/98/49/959959849.db2.gz WOEFZFZHXWSQKT-GMSGAONNSA-N -1 1 240.328 1.747 20 0 BDADMM C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CCC1=O ZINC000229538630 960084159 /nfs/dbraw/zinc/08/41/59/960084159.db2.gz FRUOVENZKYRWNE-ZWNOBZJWSA-N -1 1 247.294 1.723 20 0 BDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2)CCC1=O ZINC000229538630 960084164 /nfs/dbraw/zinc/08/41/64/960084164.db2.gz FRUOVENZKYRWNE-ZWNOBZJWSA-N -1 1 247.294 1.723 20 0 BDADMM CCCC[C@@H](NCC(=O)N(CC)CC)C(=O)[O-] ZINC000232991270 960307620 /nfs/dbraw/zinc/30/76/20/960307620.db2.gz UCQKCZNCIGYGDY-SNVBAGLBSA-N -1 1 244.335 1.088 20 0 BDADMM O=C([O-])c1coc(CNCCOCC(F)F)c1 ZINC000236461062 960635375 /nfs/dbraw/zinc/63/53/75/960635375.db2.gz VHEYVASOVLLVIY-UHFFFAOYSA-N -1 1 249.213 1.349 20 0 BDADMM [O-]c1ccc(CN2CCO[C@H]3C[C@H]32)c(F)c1F ZINC001140892455 960666222 /nfs/dbraw/zinc/66/62/22/960666222.db2.gz NWPJODPYSYZJLJ-SCZZXKLOSA-N -1 1 241.237 1.644 20 0 BDADMM [O-]c1c(F)cc(CN2CCCO2)cc1F ZINC001140988081 960783621 /nfs/dbraw/zinc/78/36/21/960783621.db2.gz MOSPVHBYZCVNQO-UHFFFAOYSA-N -1 1 215.199 1.808 20 0 BDADMM CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001141364886 961046919 /nfs/dbraw/zinc/04/69/19/961046919.db2.gz DFLXMLHNAZZVDE-UHFFFAOYSA-N -1 1 220.203 1.439 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cncc(F)c1 ZINC001141578311 961114854 /nfs/dbraw/zinc/11/48/54/961114854.db2.gz LMUZRVAQGSTYAU-UHFFFAOYSA-N -1 1 236.206 1.210 20 0 BDADMM CSc1nc(NC(=O)C(F)F)cc(=O)[n-]1 ZINC001142783402 961742079 /nfs/dbraw/zinc/74/20/79/961742079.db2.gz IEMWYPYHBWLSIW-UHFFFAOYSA-N -1 1 235.215 1.108 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])c1cc[n+]([O-])cc1 ZINC001151773062 962329919 /nfs/dbraw/zinc/32/99/19/962329919.db2.gz XJVMLZOCMGWLRG-UHFFFAOYSA-N -1 1 248.213 1.417 20 0 BDADMM C/C=C\[C@@H](O)C(=O)Nc1cccc(F)c1[O-] ZINC001151779544 962334761 /nfs/dbraw/zinc/33/47/61/962334761.db2.gz GEZLNPHHTAGEGF-FIFYQCSRSA-N -1 1 225.219 1.407 20 0 BDADMM CC(=O)c1ccc([O-])cc1OC[C@H]1CCO1 ZINC001225616572 962430483 /nfs/dbraw/zinc/43/04/83/962430483.db2.gz MEQHYEDZHIVMHC-SNVBAGLBSA-N -1 1 222.240 1.763 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)c1ncc[nH]1 ZINC001157811882 963734837 /nfs/dbraw/zinc/73/48/37/963734837.db2.gz XBKAGVVSSQZTAW-UHFFFAOYSA-N -1 1 239.181 1.646 20 0 BDADMM CN(CCO)C(=O)c1c([O-])ccc2ccccc21 ZINC001161117124 964530939 /nfs/dbraw/zinc/53/09/39/964530939.db2.gz VWNBDTWLZLSUKD-UHFFFAOYSA-N -1 1 245.278 1.610 20 0 BDADMM CS[C@H](C)CC(=O)Nc1c[n-][nH]c1=O ZINC001161384872 964587084 /nfs/dbraw/zinc/58/70/84/964587084.db2.gz XARXNZXYFUHBGG-RXMQYKEDSA-N -1 1 215.278 1.195 20 0 BDADMM CS[C@@H](C)CC(=O)Nc1c[n-][nH]c1=O ZINC001161384874 964589107 /nfs/dbraw/zinc/58/91/07/964589107.db2.gz XARXNZXYFUHBGG-YFKPBYRVSA-N -1 1 215.278 1.195 20 0 BDADMM O=[P@]([O-])(O)CCO[C@H]1CCCC[C@H]1F ZINC001224603362 964800128 /nfs/dbraw/zinc/80/01/28/964800128.db2.gz XSFJIMULPGXYEY-SFYZADRCSA-N -1 1 226.184 1.461 20 0 BDADMM C[C@H]1CC[C@H](OCC[P@](=O)([O-])O)CC1 ZINC001224606294 964800871 /nfs/dbraw/zinc/80/08/71/964800871.db2.gz NTPOVFKMEUOHNV-KYZUINATSA-N -1 1 222.221 1.759 20 0 BDADMM C[C@H]1CCC[C@H](OCC[P@](=O)([O-])O)C1 ZINC001224605749 964801586 /nfs/dbraw/zinc/80/15/86/964801586.db2.gz JTIKWCZYZAVHDF-IUCAKERBSA-N -1 1 222.221 1.759 20 0 BDADMM [O-]c1cnc(Cl)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001233032795 965459518 /nfs/dbraw/zinc/45/95/18/965459518.db2.gz TUUKUYGBAINRHP-HTQZYQBOSA-N -1 1 248.660 1.932 20 0 BDADMM [O-]c1c(F)cc(CCN2CCOCC2)cc1F ZINC001250277148 967611009 /nfs/dbraw/zinc/61/10/09/967611009.db2.gz ZWEIKNPCRSFWSD-UHFFFAOYSA-N -1 1 243.253 1.545 20 0 BDADMM CCn1ncnc1CNCCCCCC(=O)[O-] ZINC000310401160 967943045 /nfs/dbraw/zinc/94/30/45/967943045.db2.gz KRUYMXAIADMJTB-UHFFFAOYSA-N -1 1 240.307 1.033 20 0 BDADMM COC(=O)c1c[n-]c(O[C@H]2CCOC[C@H]2C)n1 ZINC001230288568 968455314 /nfs/dbraw/zinc/45/53/14/968455314.db2.gz DGDBCMOBLUZFSA-APPZFPTMSA-N -1 1 240.259 1.000 20 0 BDADMM O=C(Nc1ccccn1)Nc1ncccc1[O-] ZINC000169847297 968564896 /nfs/dbraw/zinc/56/48/96/968564896.db2.gz LUCOUNQGTHZRDC-UHFFFAOYSA-N -1 1 230.227 1.826 20 0 BDADMM CCn1cc(-c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001240650260 968623354 /nfs/dbraw/zinc/62/33/54/968623354.db2.gz XAVYHPUTAMFVTG-UHFFFAOYSA-N -1 1 241.258 1.145 20 0 BDADMM CCn1cc(-c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001240650260 968623358 /nfs/dbraw/zinc/62/33/58/968623358.db2.gz XAVYHPUTAMFVTG-UHFFFAOYSA-N -1 1 241.258 1.145 20 0 BDADMM CCCCS(=O)(=O)[N-]c1ccnc(C)n1 ZINC001253776258 969395860 /nfs/dbraw/zinc/39/58/60/969395860.db2.gz OYJFMBCJAJJESC-UHFFFAOYSA-N -1 1 229.305 1.327 20 0 BDADMM Nc1cnn(-c2ccc(Cl)c([O-])c2)c1 ZINC001212588180 969574180 /nfs/dbraw/zinc/57/41/80/969574180.db2.gz IVENLVJVENYMCJ-UHFFFAOYSA-N -1 1 209.636 1.814 20 0 BDADMM Nc1cn(-c2cccc([O-])c2Cl)ccc1=O ZINC001210851753 970052427 /nfs/dbraw/zinc/05/24/27/970052427.db2.gz 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BDADMM CC1(C)CCN(C(=O)c2cnncc2[O-])CC1 ZINC001353559639 982892187 /nfs/dbraw/zinc/89/21/87/982892187.db2.gz PYMTWSGTABFERL-UHFFFAOYSA-N -1 1 235.287 1.444 20 0 BDADMM CCN(C(=O)c1cnncc1[O-])C1CCC1 ZINC001353585036 982904257 /nfs/dbraw/zinc/90/42/57/982904257.db2.gz VCUNMASWOYWWTH-UHFFFAOYSA-N -1 1 221.260 1.197 20 0 BDADMM CC[C@@H]1CCN(C(=O)c2cnncc2O)C1 ZINC001353606967 982922501 /nfs/dbraw/zinc/92/25/01/982922501.db2.gz IVIZCFRYKZQOGC-MRVPVSSYSA-N -1 1 221.260 1.054 20 0 BDADMM CC[C@@H]1CCN(C(=O)c2cnncc2[O-])C1 ZINC001353606967 982922505 /nfs/dbraw/zinc/92/25/05/982922505.db2.gz IVIZCFRYKZQOGC-MRVPVSSYSA-N -1 1 221.260 1.054 20 0 BDADMM CC[C@H](C)CON=c1cc(-c2nn[n-]n2)nc[nH]1 ZINC001590411270 982942442 /nfs/dbraw/zinc/94/24/42/982942442.db2.gz YMBVKQGHZOZHKP-ZETCQYMHSA-N -1 1 249.278 1.046 20 0 BDADMM CCC1(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001590496888 982950532 /nfs/dbraw/zinc/95/05/32/982950532.db2.gz VGHVFVQZBCLTPO-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM CCCCN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590598970 982960265 /nfs/dbraw/zinc/96/02/65/982960265.db2.gz UVAHAKMIAPQIQR-UHFFFAOYSA-N -1 1 249.274 1.332 20 0 BDADMM CCCCN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590598970 982960276 /nfs/dbraw/zinc/96/02/76/982960276.db2.gz UVAHAKMIAPQIQR-UHFFFAOYSA-N -1 1 249.274 1.332 20 0 BDADMM CCCN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001590619871 982962617 /nfs/dbraw/zinc/96/26/17/982962617.db2.gz JWXCPFWMPQPPEZ-UHFFFAOYSA-N -1 1 232.291 1.416 20 0 BDADMM CCCCCNc1ncncc1-c1nn[n-]n1 ZINC001590597210 982966347 /nfs/dbraw/zinc/96/63/47/982966347.db2.gz NFARTHQAVGTFSR-UHFFFAOYSA-N -1 1 233.279 1.259 20 0 BDADMM Cc1cnc(CN[C@@H](CC(=O)[O-])C(C)(C)C)o1 ZINC001120272316 983023621 /nfs/dbraw/zinc/02/36/21/983023621.db2.gz DLWCKQCNPVQCEN-VIFPVBQESA-N -1 1 240.303 1.962 20 0 BDADMM O=C([O-])c1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001241799783 983054423 /nfs/dbraw/zinc/05/44/23/983054423.db2.gz CODKKQVHUSZFTB-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM CCCOC(=O)[C@H](C)N1CCC[C@@H]1CC(=O)[O-] ZINC001595937220 983083650 /nfs/dbraw/zinc/08/36/50/983083650.db2.gz XWHFAXVDERDXIQ-VHSXEESVSA-N -1 1 243.303 1.267 20 0 BDADMM Cc1cc(N(C)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001591994444 983106052 /nfs/dbraw/zinc/10/60/52/983106052.db2.gz GLQXJNGGMYGFMB-UHFFFAOYSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1cc(N(C)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001591994444 983106057 /nfs/dbraw/zinc/10/60/57/983106057.db2.gz GLQXJNGGMYGFMB-UHFFFAOYSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1cc(NC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592037733 983111017 /nfs/dbraw/zinc/11/10/17/983111017.db2.gz TUQAQCARHYSIGW-UHFFFAOYSA-N -1 1 244.302 1.347 20 0 BDADMM Cc1cc(NC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592037733 983111020 /nfs/dbraw/zinc/11/10/20/983111020.db2.gz TUQAQCARHYSIGW-UHFFFAOYSA-N -1 1 244.302 1.347 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(C2CCCC2)c1C ZINC001592340616 983141626 /nfs/dbraw/zinc/14/16/26/983141626.db2.gz YNYCKFGCKPRPMD-UHFFFAOYSA-N -1 1 232.291 1.795 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(C2CCCC2)c1C ZINC001592340616 983141636 /nfs/dbraw/zinc/14/16/36/983141636.db2.gz YNYCKFGCKPRPMD-UHFFFAOYSA-N -1 1 232.291 1.795 20 0 BDADMM CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1nn[n-]n1 ZINC001354092376 983150953 /nfs/dbraw/zinc/15/09/53/983150953.db2.gz FMVQAFDKPLUPLW-RKDXNWHRSA-N -1 1 249.318 1.379 20 0 BDADMM CC(C)Cc1c[nH]c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001354102234 983154549 /nfs/dbraw/zinc/15/45/49/983154549.db2.gz NHMKXXLMFWHRFG-UHFFFAOYSA-N -1 1 248.290 1.003 20 0 BDADMM FC1=CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001592630681 983186307 /nfs/dbraw/zinc/18/63/07/983186307.db2.gz KGBGYVOXLIAEST-UHFFFAOYSA-N -1 1 249.249 1.519 20 0 BDADMM FC1=CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001592630681 983186310 /nfs/dbraw/zinc/18/63/10/983186310.db2.gz KGBGYVOXLIAEST-UHFFFAOYSA-N -1 1 249.249 1.519 20 0 BDADMM CC(F)(F)CN[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592943687 983222567 /nfs/dbraw/zinc/22/25/67/983222567.db2.gz NQTHNRTYWOXYIC-RNFRBKRXSA-N -1 1 207.220 1.485 20 0 BDADMM O=C(NC1CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592980312 983227857 /nfs/dbraw/zinc/22/78/57/983227857.db2.gz YTCQSDIUSOFGQT-UHFFFAOYSA-N -1 1 247.258 1.132 20 0 BDADMM O=C(NC1CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592980312 983227864 /nfs/dbraw/zinc/22/78/64/983227864.db2.gz YTCQSDIUSOFGQT-UHFFFAOYSA-N -1 1 247.258 1.132 20 0 BDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]2C2CC2)c1 ZINC001593549673 983299286 /nfs/dbraw/zinc/29/92/86/983299286.db2.gz AHZHIHNPRXONEH-SNVBAGLBSA-N -1 1 242.286 1.250 20 0 BDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]2C2CC2)c1 ZINC001593549673 983299291 /nfs/dbraw/zinc/29/92/91/983299291.db2.gz AHZHIHNPRXONEH-SNVBAGLBSA-N -1 1 242.286 1.250 20 0 BDADMM c1cc(-c2nnn[n-]2)ncc1C1=CCOCC1 ZINC001242075678 983318736 /nfs/dbraw/zinc/31/87/36/983318736.db2.gz CMXDHZNMNFWEKG-UHFFFAOYSA-N -1 1 229.243 1.065 20 0 BDADMM c1cc(-c2nn[n-]n2)ncc1C1=CCOCC1 ZINC001242075678 983318742 /nfs/dbraw/zinc/31/87/42/983318742.db2.gz CMXDHZNMNFWEKG-UHFFFAOYSA-N -1 1 229.243 1.065 20 0 BDADMM CC1(C)CC[C@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001593863349 983384180 /nfs/dbraw/zinc/38/41/80/983384180.db2.gz LDGVVPVQORDZPC-QMMMGPOBSA-N -1 1 249.318 1.131 20 0 BDADMM CC1(C)CC[C@@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001593863348 983385831 /nfs/dbraw/zinc/38/58/31/983385831.db2.gz LDGVVPVQORDZPC-MRVPVSSYSA-N -1 1 249.318 1.131 20 0 BDADMM O=C([O-])Cn1cc(-c2ccc3cncn3c2)cn1 ZINC001242183143 983397664 /nfs/dbraw/zinc/39/76/64/983397664.db2.gz HJGUNCHRASKAKX-UHFFFAOYSA-N -1 1 242.238 1.282 20 0 BDADMM CC[C@@H]1CCCN(C(=O)c2cnncc2[O-])C1 ZINC001357726499 983762130 /nfs/dbraw/zinc/76/21/30/983762130.db2.gz NKOYWROAAROMPN-SECBINFHSA-N -1 1 235.287 1.444 20 0 BDADMM CCC1(NC(=O)c2cnncc2[O-])CCC1 ZINC001358010718 983812491 /nfs/dbraw/zinc/81/24/91/983812491.db2.gz IHNRJFJQYCKXTA-UHFFFAOYSA-N -1 1 221.260 1.245 20 0 BDADMM O=C(c1cnncc1[O-])N1CCC(C2CC2)CC1 ZINC001358264515 983844917 /nfs/dbraw/zinc/84/49/17/983844917.db2.gz IIKBKCPDHKXOJC-UHFFFAOYSA-N -1 1 247.298 1.444 20 0 BDADMM COc1ccnc(-c2nnc(C)o2)c1[O-] ZINC001253444355 984170389 /nfs/dbraw/zinc/17/03/89/984170389.db2.gz NIAKWNSXOFEBKV-UHFFFAOYSA-N -1 1 207.189 1.154 20 0 BDADMM Cc1cc(C(=O)[N-]c2conc2C)no1 ZINC001437298728 984354206 /nfs/dbraw/zinc/35/42/06/984354206.db2.gz XRJAVYCGVHXOIH-UHFFFAOYSA-N -1 1 207.189 1.532 20 0 BDADMM COc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243047970 984393223 /nfs/dbraw/zinc/39/32/23/984393223.db2.gz IJUSZHYULMEZMU-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM [O-]c1cc(-c2ncnc3[nH]cnc32)ccc1F ZINC001243050208 984403642 /nfs/dbraw/zinc/40/36/42/984403642.db2.gz NLBMDRIJMOAJGJ-UHFFFAOYSA-N -1 1 230.202 1.865 20 0 BDADMM C[C@H](C(=O)[O-])N(C)Cc1ccncc1F ZINC001599886820 984646586 /nfs/dbraw/zinc/64/65/86/984646586.db2.gz RHNPYBRNWIRBRD-SSDOTTSWSA-N -1 1 212.224 1.126 20 0 BDADMM CC1CN(C(=O)c2cccc([O-])c2F)C1 ZINC001448685304 984819596 /nfs/dbraw/zinc/81/95/96/984819596.db2.gz KZDDSVAUFWHNLO-UHFFFAOYSA-N -1 1 209.220 1.623 20 0 BDADMM O=C(NCCCc1ccco1)c1cncc([O-])c1 ZINC001454063308 985016538 /nfs/dbraw/zinc/01/65/38/985016538.db2.gz MGYXEDWBIVCLSB-UHFFFAOYSA-N -1 1 246.266 1.743 20 0 BDADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])n1ccnc1 ZINC001454760598 985046972 /nfs/dbraw/zinc/04/69/72/985046972.db2.gz YRUKNDZXLMRQMF-QMMMGPOBSA-N -1 1 249.245 1.928 20 0 BDADMM C/C=C(/CC)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001455352821 985070229 /nfs/dbraw/zinc/07/02/29/985070229.db2.gz SMODGVURBXTUHV-BAQGIRSFSA-N -1 1 235.291 1.051 20 0 BDADMM CSC[C@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001457822434 985241005 /nfs/dbraw/zinc/24/10/05/985241005.db2.gz LPPLICCPZHZAAT-YFKPBYRVSA-N -1 1 215.278 1.053 20 0 BDADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001457818679 985238362 /nfs/dbraw/zinc/23/83/62/985238362.db2.gz DKFBKPCZFWONBU-HTQZYQBOSA-N -1 1 223.276 1.880 20 0 BDADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001457818332 985240957 /nfs/dbraw/zinc/24/09/57/985240957.db2.gz AJNJKIAMRYSRET-RNFRBKRXSA-N -1 1 211.265 1.736 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(Cl)no1 ZINC001457824989 985241371 /nfs/dbraw/zinc/24/13/71/985241371.db2.gz YOCFMGVOEAWSEV-UHFFFAOYSA-N -1 1 228.595 1.009 20 0 BDADMM CC(C)(C)c1coc(SCc2nn[n-]n2)n1 ZINC001459350786 985453385 /nfs/dbraw/zinc/45/33/85/985453385.db2.gz ITJGKOLEWKRNNX-UHFFFAOYSA-N -1 1 239.304 1.778 20 0 BDADMM O=C(NOCC1CCC1)c1cncc([O-])c1 ZINC000688524206 985665087 /nfs/dbraw/zinc/66/50/87/985665087.db2.gz MJUNSUDJFVWJMS-UHFFFAOYSA-N -1 1 222.244 1.249 20 0 BDADMM CCOC[C@H](C(=O)[O-])N(C)CC=C(C)C ZINC001596884537 985771593 /nfs/dbraw/zinc/77/15/93/985771593.db2.gz NFGGRDJRAACSMC-SNVBAGLBSA-N -1 1 215.293 1.374 20 0 BDADMM COCC(C)(C)NC(=O)c1cccc([O-])c1F ZINC001464759980 986657991 /nfs/dbraw/zinc/65/79/91/986657991.db2.gz BTYIABUGQVJENF-UHFFFAOYSA-N -1 1 241.262 1.686 20 0 BDADMM CN(CC(C)(C)O)C(=O)c1cccc([O-])c1F ZINC001465623346 986731237 /nfs/dbraw/zinc/73/12/37/986731237.db2.gz SOJINMSNZSMIGU-UHFFFAOYSA-N -1 1 241.262 1.374 20 0 BDADMM c1nc(NC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001593591657 986852130 /nfs/dbraw/zinc/85/21/30/986852130.db2.gz SXGKJMIQYFQIJD-UHFFFAOYSA-N -1 1 245.290 1.401 20 0 BDADMM c1nc(NC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001593591657 986852135 /nfs/dbraw/zinc/85/21/35/986852135.db2.gz SXGKJMIQYFQIJD-UHFFFAOYSA-N -1 1 245.290 1.401 20 0 BDADMM C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1c[nH]cn1 ZINC001593742226 986903841 /nfs/dbraw/zinc/90/38/41/986903841.db2.gz UCNRCFVMVPPBPA-UHFFFAOYSA-N -1 1 237.303 1.487 20 0 BDADMM C[C@H]1CN(C(=O)c2ccc([O-])cn2)[C@H]1C ZINC001468504737 986921635 /nfs/dbraw/zinc/92/16/35/986921635.db2.gz NMNGOECZLOUANP-YUMQZZPRSA-N -1 1 206.245 1.268 20 0 BDADMM O=C([O-])c1ccc(-c2c(O)cccc2F)nn1 ZINC001245652331 987018376 /nfs/dbraw/zinc/01/83/76/987018376.db2.gz ALNDCSFYXNODLC-UHFFFAOYSA-N -1 1 234.186 1.687 20 0 BDADMM O=C(N[C@]12CCC[C@H]1OCC2)c1ccc([O-])cn1 ZINC001471436926 987089826 /nfs/dbraw/zinc/08/98/26/987089826.db2.gz WIRXEXNDDLHNLB-YPMHNXCESA-N -1 1 248.282 1.229 20 0 BDADMM CC(C)NC(=S)n1[n-]c(C2CC2)cc1=O ZINC001245911585 987137994 /nfs/dbraw/zinc/13/79/94/987137994.db2.gz VBPBVHVJQHFUJJ-UHFFFAOYSA-N -1 1 225.317 1.597 20 0 BDADMM CCCc1cc(=O)n(-c2ccc(C(N)=O)cc2)[n-]1 ZINC001245925025 987175578 /nfs/dbraw/zinc/17/55/78/987175578.db2.gz NPQNIDMAVQXANJ-UHFFFAOYSA-N -1 1 245.282 1.629 20 0 BDADMM Cc1noc([N-]C(=O)c2ccsn2)n1 ZINC001472492280 987228854 /nfs/dbraw/zinc/22/88/54/987228854.db2.gz LXYMERGHCHSTQF-UHFFFAOYSA-N -1 1 210.218 1.087 20 0 BDADMM O=c1cc(CC2CC2)[n-]n1-c1ccncc1 ZINC001245952618 987230222 /nfs/dbraw/zinc/23/02/22/987230222.db2.gz FPUNPXACQPSMNM-UHFFFAOYSA-N -1 1 215.256 1.925 20 0 BDADMM CC(C)NC(=S)n1[n-]c(CC2CC2)cc1=O ZINC001245954251 987243382 /nfs/dbraw/zinc/24/33/82/987243382.db2.gz ZEHVPEJIKYGYAH-UHFFFAOYSA-N -1 1 239.344 1.672 20 0 BDADMM O=C(C[C@@H]1C=CCCC1)Nc1c[n-][nH]c1=O ZINC001472570957 987243853 /nfs/dbraw/zinc/24/38/53/987243853.db2.gz XARFJFIFKIOTPX-MRVPVSSYSA-N -1 1 221.260 1.800 20 0 BDADMM CC[C@H](C)CCC(=O)Nc1c[n-][nH]c1=O ZINC001472570995 987244569 /nfs/dbraw/zinc/24/45/69/987244569.db2.gz YCEDLFWPSPZFFP-ZETCQYMHSA-N -1 1 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ZINC001331996400 974915672 /nfs/dbraw/zinc/91/56/72/974915672.db2.gz RWLWWXGQCLIICE-JTQLQIEISA-N -1 1 241.262 1.516 20 0 BDADMM Cc1cc(=O)oc2cc([O-])cc(OC3COC3)c12 ZINC001226491161 974925351 /nfs/dbraw/zinc/92/53/51/974925351.db2.gz VRENGBVHJVLJEN-UHFFFAOYSA-N -1 1 248.234 1.585 20 0 BDADMM Cc1nccnc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001332278299 975040890 /nfs/dbraw/zinc/04/08/90/975040890.db2.gz QOIFCMZTHXAXSR-VIFPVBQESA-N -1 1 249.314 1.470 20 0 BDADMM COc1c[n-]c(=O)nc1OC1CCCC1 ZINC001226822223 975099955 /nfs/dbraw/zinc/09/99/55/975099955.db2.gz MNRLNIQZKHQKLR-UHFFFAOYSA-N -1 1 210.233 1.512 20 0 BDADMM O=c1[n-]cncc1OC1CCSCC1 ZINC001227048663 975236128 /nfs/dbraw/zinc/23/61/28/975236128.db2.gz IMXZAJJBVQTXFG-UHFFFAOYSA-N -1 1 212.274 1.457 20 0 BDADMM COC[C@H](C)OC[C@@H](C)Oc1cnc[n-]c1=O ZINC001227051071 975240768 /nfs/dbraw/zinc/24/07/68/975240768.db2.gz GIYYPSIZPCMBNC-DTWKUNHWSA-N -1 1 242.275 1.001 20 0 BDADMM O=c1[n-]cncc1O[C@@H]1CC(F)(F)C1(F)F ZINC001227052037 975241094 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/nfs/dbraw/zinc/89/81/19/975898119.db2.gz GIGGFDIXMPEPRU-SSDOTTSWSA-N -1 1 242.300 1.462 20 0 BDADMM CSc1nc(O[C@H]2COC[C@@H]2C)cc(=O)[n-]1 ZINC001228091095 975900309 /nfs/dbraw/zinc/90/03/09/975900309.db2.gz UFAKMAJMLCRBBD-BQBZGAKWSA-N -1 1 242.300 1.318 20 0 BDADMM C[C@H](Oc1nc(O)cc(=O)[n-]1)C(F)(F)F ZINC001228391636 976187088 /nfs/dbraw/zinc/18/70/88/976187088.db2.gz XFSVDRRVRFBDCH-VKHMYHEASA-N -1 1 224.138 1.217 20 0 BDADMM Cc1sccc1CNC[C@H](F)C(=O)[O-] ZINC001334089234 976289430 /nfs/dbraw/zinc/28/94/30/976289430.db2.gz PGORGSRYWVRTEE-QMMMGPOBSA-N -1 1 217.265 1.569 20 0 BDADMM CC/C=C\CNc1cc(=O)[n-]c(COC)n1 ZINC001334216038 976382091 /nfs/dbraw/zinc/38/20/91/976382091.db2.gz WJLIWXWRWKGPRA-PLNGDYQASA-N -1 1 223.276 1.707 20 0 BDADMM CC[C@H](CC(C)C)C(=O)N(C)c1nn[n-]n1 ZINC001334236787 976397960 /nfs/dbraw/zinc/39/79/60/976397960.db2.gz DCLGFFZQNODPAH-MRVPVSSYSA-N -1 1 225.296 1.235 20 0 BDADMM S=c1nncc(OC2Cc3ccccc3C2)[n-]1 ZINC001228638937 976400003 /nfs/dbraw/zinc/40/00/03/976400003.db2.gz JUVQSTVRIREAJG-UHFFFAOYSA-N -1 1 245.307 1.707 20 0 BDADMM S=c1nncc(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001228641706 976403979 /nfs/dbraw/zinc/40/39/79/976403979.db2.gz HPOIZEDSVZAYNN-MRVPVSSYSA-N -1 1 246.295 1.622 20 0 BDADMM S=c1nncc(O[C@@H]2C=CCCC2)[n-]1 ZINC001228642317 976404406 /nfs/dbraw/zinc/40/44/06/976404406.db2.gz NQSZLVUULOKTJW-SSDOTTSWSA-N -1 1 209.274 1.648 20 0 BDADMM S=c1nncc(O[C@H]2C=CCCC2)[n-]1 ZINC001228642318 976405206 /nfs/dbraw/zinc/40/52/06/976405206.db2.gz NQSZLVUULOKTJW-ZETCQYMHSA-N -1 1 209.274 1.648 20 0 BDADMM CC(=O)[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693658 976443623 /nfs/dbraw/zinc/44/36/23/976443623.db2.gz BOBHJBNPKRWRAU-MRVPVSSYSA-N -1 1 232.243 1.223 20 0 BDADMM Cc1nnc([N-]c2cc(F)ccc2O)o1 ZINC001174627397 976896748 /nfs/dbraw/zinc/89/67/48/976896748.db2.gz VAXHZOFVKJKNRQ-UHFFFAOYSA-N -1 1 209.180 1.966 20 0 BDADMM Cc1cncc(Nc2cc(=O)[n-]c(N(C)C)n2)c1 ZINC001174753904 977048440 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CC[C@H]1CN(Cc2ccccc2C(=O)[O-])CCO1 ZINC000036770264 487586057 /nfs/dbraw/zinc/58/60/57/487586057.db2.gz IOYVSZLVYLUVGA-LBPRGKRZSA-N -1 1 249.310 1.996 20 0 BDADMM CCn1[n-]c(-c2ccccc2)c(C)c1=O ZINC000128141071 409928600 /nfs/dbraw/zinc/92/86/00/409928600.db2.gz FRJAWQNQUJGSRA-VIFPVBQESA-N -1 1 202.257 1.889 20 0 BDADMM CCCN(CC(=O)[O-])c1cc[nH+]c(C(=O)[O-])c1 ZINC000650766195 410417373 /nfs/dbraw/zinc/41/73/73/410417373.db2.gz XZBBRKYPTZAYDL-UHFFFAOYSA-N -1 1 238.243 1.081 20 0 BDADMM CC[C@@H](C(=O)[O-])N(C)c1cc[nH+]c(C(=O)[O-])c1 ZINC000650778373 410427995 /nfs/dbraw/zinc/42/79/95/410427995.db2.gz NLSIDSJEGWLGFI-VIFPVBQESA-N -1 1 238.243 1.079 20 0 BDADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2ccc(C)cc2)C1 ZINC000652477697 411251595 /nfs/dbraw/zinc/25/15/95/411251595.db2.gz IAJVZIZCNMXOEC-OLZOCXBDSA-N -1 1 249.310 1.669 20 0 BDADMM C[C@@H](CCO)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000652960227 411369616 /nfs/dbraw/zinc/36/96/16/411369616.db2.gz WPKYXQPCJFLUOD-QMMMGPOBSA-N -1 1 241.262 1.374 20 0 BDADMM CC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280786222 168171296 /nfs/dbraw/zinc/17/12/96/168171296.db2.gz OIKPIXLDVCUNJO-UHFFFAOYSA-N -1 1 247.294 1.833 20 0 BDADMM CCC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000337593365 168242278 /nfs/dbraw/zinc/24/22/78/168242278.db2.gz ZFFOIQBZKCNILE-UHFFFAOYSA-N -1 1 223.228 1.527 20 0 BDADMM Cc1csc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000659802179 411459119 /nfs/dbraw/zinc/45/91/19/411459119.db2.gz RJLOVSSCCXENAK-DTORHVGOSA-N -1 1 240.328 1.747 20 0 BDADMM CCc1nc([C@H](C)Sc2n[nH]c(=O)[n-]2)n[nH]1 ZINC000657257140 411431304 /nfs/dbraw/zinc/43/13/04/411431304.db2.gz OUXWWGAOEGQMGQ-BYPYZUCNSA-N -1 1 240.292 1.044 20 0 BDADMM C[C@@]1(C(=O)[O-])CCCN1Cc1ccccn1 ZINC000070618111 411431623 /nfs/dbraw/zinc/43/16/23/411431623.db2.gz MLRNNWPDZIIEEC-LBPRGKRZSA-N -1 1 220.272 1.521 20 0 BDADMM CC(C)CCC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279793093 411450763 /nfs/dbraw/zinc/45/07/63/411450763.db2.gz OQPGXARRWUSCTC-WJDWOHSUSA-N -1 1 246.314 1.717 20 0 BDADMM CCNC(=O)c1ccc(=NCCC=C(C)C)[n-]n1 ZINC000357849886 170100710 /nfs/dbraw/zinc/10/07/10/170100710.db2.gz CJDMNYSONCMAJV-UHFFFAOYSA-N -1 1 248.330 1.416 20 0 BDADMM O=C([N-]c1nncs1)c1ncncc1Cl ZINC000489966018 411661753 /nfs/dbraw/zinc/66/17/53/411661753.db2.gz POPZXGHNOLEKCT-UHFFFAOYSA-N -1 1 241.663 1.234 20 0 BDADMM CC[C@H](C)[C@@H](C)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000357377216 171359355 /nfs/dbraw/zinc/35/93/55/171359355.db2.gz RPTAJFKGPKOEHK-JGVFFNPUSA-N -1 1 239.323 1.233 20 0 BDADMM CC[C@H](C)[C@H](C)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000357377218 171384105 /nfs/dbraw/zinc/38/41/05/171384105.db2.gz RPTAJFKGPKOEHK-YUMQZZPRSA-N -1 1 239.323 1.233 20 0 BDADMM O=C(c1ccc([O-])cc1F)N1CC2(CC2)C1 ZINC000335391995 487623573 /nfs/dbraw/zinc/62/35/73/487623573.db2.gz DLSHSTOKHVBVRR-UHFFFAOYSA-N -1 1 221.231 1.767 20 0 BDADMM CCc1nsc([N-]c2cnn(C)c2)n1 ZINC000083653206 172108003 /nfs/dbraw/zinc/10/80/03/172108003.db2.gz DDROGSQRXMMNBC-UHFFFAOYSA-N -1 1 209.278 1.578 20 0 BDADMM CCn1cc(NC(=O)c2cncc([O-])c2)cn1 ZINC000111739004 172183854 /nfs/dbraw/zinc/18/38/54/172183854.db2.gz CRBOSCBXUXBJSG-UHFFFAOYSA-N -1 1 232.243 1.256 20 0 BDADMM CN(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000226269350 172340573 /nfs/dbraw/zinc/34/05/73/172340573.db2.gz GPCGUBQTSRDQGX-UHFFFAOYSA-N -1 1 209.220 1.766 20 0 BDADMM COC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111890945 174026710 /nfs/dbraw/zinc/02/67/10/174026710.db2.gz RPNHINIEVWEVQV-UHFFFAOYSA-N -1 1 236.271 1.038 20 0 BDADMM COCC1=CCN(C(=O)c2ncccc2[O-])CC1 ZINC000167732925 174114457 /nfs/dbraw/zinc/11/44/57/174114457.db2.gz HCMDQYPDNNYSPG-UHFFFAOYSA-N -1 1 248.282 1.206 20 0 BDADMM COCCCO[N-]C(=O)Cc1ccc(C)s1 ZINC000288216337 174254762 /nfs/dbraw/zinc/25/47/62/174254762.db2.gz RCBOEMXETILYNO-UHFFFAOYSA-N -1 1 243.328 1.683 20 0 BDADMM COCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000330667245 174377648 /nfs/dbraw/zinc/37/76/48/174377648.db2.gz BEHPBGUTTXMHGB-UHFFFAOYSA-N -1 1 214.290 1.538 20 0 BDADMM COc1ccc(C(=O)NOCC2CC2)c([O-])c1 ZINC000293784729 175061071 /nfs/dbraw/zinc/06/10/71/175061071.db2.gz NYWWOIHWRWIPLQ-UHFFFAOYSA-N -1 1 237.255 1.472 20 0 BDADMM C[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288156449 176104331 /nfs/dbraw/zinc/10/43/31/176104331.db2.gz RGHHXQXTIVDMJA-SECBINFHSA-N -1 1 233.267 1.586 20 0 BDADMM C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000354023787 176178011 /nfs/dbraw/zinc/17/80/11/176178011.db2.gz GCJVHSJPQBORPV-MRVPVSSYSA-N -1 1 224.308 1.378 20 0 BDADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000129293459 176211807 /nfs/dbraw/zinc/21/18/07/176211807.db2.gz IWKIDEUFLHGXHX-RKDXNWHRSA-N -1 1 220.272 1.706 20 0 BDADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000129293047 176232962 /nfs/dbraw/zinc/23/29/62/176232962.db2.gz IWKIDEUFLHGXHX-BDAKNGLRSA-N -1 1 220.272 1.706 20 0 BDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000085696611 176266332 /nfs/dbraw/zinc/26/63/32/176266332.db2.gz BUFBXKYGCYDRMJ-RKDXNWHRSA-N -1 1 220.272 1.515 20 0 BDADMM C[C@H](CC(C)(C)O)NC(=O)c1ncccc1[O-] ZINC000296783024 176606040 /nfs/dbraw/zinc/60/60/40/176606040.db2.gz DCFJNNNNJUJTFB-MRVPVSSYSA-N -1 1 238.287 1.067 20 0 BDADMM C[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000082650663 177073893 /nfs/dbraw/zinc/07/38/93/177073893.db2.gz YXSFPAWKPRDCQP-VIFPVBQESA-N -1 1 220.272 1.802 20 0 BDADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000037760421 177096469 /nfs/dbraw/zinc/09/64/69/177096469.db2.gz VNBXXHSMDUJCOP-VIFPVBQESA-N -1 1 220.272 1.659 20 0 BDADMM C[C@@H]1[C@@H](C)CN1C(=O)c1cncc([O-])c1 ZINC000294262367 177230851 /nfs/dbraw/zinc/23/08/51/177230851.db2.gz SYFZGVJDXJUVIO-JGVFFNPUSA-N -1 1 206.245 1.268 20 0 BDADMM C[C@H]1COCCN1C(=O)c1ccc([O-])cc1F ZINC000226268393 177289847 /nfs/dbraw/zinc/28/98/47/177289847.db2.gz IIZWMAGROGZDKX-QMMMGPOBSA-N -1 1 239.246 1.392 20 0 BDADMM C[C@@H]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 ZINC000226520090 177356875 /nfs/dbraw/zinc/35/68/75/177356875.db2.gz RXULSXZVKYPQEZ-HRDYMLBCSA-N -1 1 222.292 1.359 20 0 BDADMM O=C([N-]c1nncs1)c1coc(C2CC2)n1 ZINC000680836855 487655861 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/nfs/dbraw/zinc/70/67/61/487706761.db2.gz OMXYHNMHIXNYHK-SSDOTTSWSA-N -1 1 241.262 1.421 20 0 BDADMM CN(C(=O)c1ccc([O-])c(F)c1)c1cnn(C)c1 ZINC000681049887 487706902 /nfs/dbraw/zinc/70/69/02/487706902.db2.gz VVYRCDGNRUDUCU-UHFFFAOYSA-N -1 1 249.245 1.541 20 0 BDADMM CC[C@](C)(O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681052808 487707217 /nfs/dbraw/zinc/70/72/17/487707217.db2.gz UTJAGLNLONNVJC-LBPRGKRZSA-N -1 1 241.262 1.422 20 0 BDADMM CC[C@@H](CCO)NC(=O)c1ccc([O-])c(F)c1 ZINC000681055871 487708177 /nfs/dbraw/zinc/70/81/77/487708177.db2.gz CWSXHBQYDOTERW-VIFPVBQESA-N -1 1 241.262 1.422 20 0 BDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1CO ZINC000681059530 487710197 /nfs/dbraw/zinc/71/01/97/487710197.db2.gz WKJOUAVGWKPNPP-SECBINFHSA-N -1 1 239.246 1.128 20 0 BDADMM CCC1(C(=O)[N-]OCC(F)F)CCOCC1 ZINC000759351744 585371065 /nfs/dbraw/zinc/37/10/65/585371065.db2.gz KTMRWDYUIMUAHB-UHFFFAOYSA-N -1 1 237.246 1.506 20 0 BDADMM CO[C@@H](C)[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000786678520 585896082 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SBIYCIMCSWILCK-UHFFFAOYSA-N -1 1 232.330 1.999 20 0 BDADMM O=C([N-]O[C@H]1CCCCO1)C1(CCF)CC1 ZINC000810281927 586537933 /nfs/dbraw/zinc/53/79/33/586537933.db2.gz XLPYMGDMOTUQND-VIFPVBQESA-N -1 1 231.267 1.701 20 0 BDADMM O=C([N-]OC1CCOCC1)[C@H](F)C(F)(F)F ZINC000811163955 586555944 /nfs/dbraw/zinc/55/59/44/586555944.db2.gz MGLHRDUTLGTTMH-LURJTMIESA-N -1 1 245.172 1.114 20 0 BDADMM Cc1nccc(=NOCCOC(C)C)[n-]1 ZINC000812489334 586577768 /nfs/dbraw/zinc/57/77/68/586577768.db2.gz XWMFOVPGGQLKFP-UHFFFAOYSA-N -1 1 211.265 1.554 20 0 BDADMM CCOCCO[N-]C(=O)[C@H]1CCCC[C@H]1OC ZINC000816172609 586711557 /nfs/dbraw/zinc/71/15/57/586711557.db2.gz VFUJSYMZGGXKHM-WDEREUQCSA-N -1 1 245.319 1.276 20 0 BDADMM CC[C@H](C)CO[N-]C(=O)[C@H](F)C(F)(F)F ZINC000816980592 586778022 /nfs/dbraw/zinc/77/80/22/586778022.db2.gz OHKBXECXIACKGJ-WDSKDSINSA-N -1 1 231.189 1.981 20 0 BDADMM O=C([N-]OCCC1CC1)[C@@H]1CCCOC1 ZINC000817437165 586805607 /nfs/dbraw/zinc/80/56/07/586805607.db2.gz GUZMIFSFHYJYJO-SNVBAGLBSA-N -1 1 213.277 1.261 20 0 BDADMM O=C([N-]OCCC1CC1)[C@H]1CCCOC1 ZINC000817437164 586805471 /nfs/dbraw/zinc/80/54/71/586805471.db2.gz GUZMIFSFHYJYJO-JTQLQIEISA-N -1 1 213.277 1.261 20 0 BDADMM C[C@@H]([N-]C(=O)C(C)(F)F)[C@@H](O)C(F)(F)F ZINC000819568724 586978302 /nfs/dbraw/zinc/97/83/02/586978302.db2.gz XAFUVYNIGSRPIY-QWWZWVQMSA-N -1 1 235.152 1.070 20 0 BDADMM O=C(CCn1ccnc1)[N-]Oc1ccccc1 ZINC000820048913 587015166 /nfs/dbraw/zinc/01/51/66/587015166.db2.gz LCJCINLYMUJGME-UHFFFAOYSA-N -1 1 231.255 1.383 20 0 BDADMM Cc1cc(CN2CCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000820976652 587085509 /nfs/dbraw/zinc/08/55/09/587085509.db2.gz PCRPXRRNJKPBSN-LLVKDONJSA-N -1 1 223.272 1.945 20 0 BDADMM COc1cnc(C=Cc2c(C)noc2C)[n-]c1=O ZINC000821008989 587087906 /nfs/dbraw/zinc/08/79/06/587087906.db2.gz VPBKUVALTKWJLB-SNAWJCMRSA-N -1 1 247.254 1.966 20 0 BDADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC000821619310 587132396 /nfs/dbraw/zinc/13/23/96/587132396.db2.gz QUIYOGVKHUTYRS-UHFFFAOYSA-N -1 1 230.275 1.250 20 0 BDADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC000821619310 587132398 /nfs/dbraw/zinc/13/23/98/587132398.db2.gz QUIYOGVKHUTYRS-UHFFFAOYSA-N -1 1 230.275 1.250 20 0 BDADMM CC1(C(=O)[N-]OC[C@H]2CCOC2)CC(F)(F)C1 ZINC000822353005 587163858 /nfs/dbraw/zinc/16/38/58/587163858.db2.gz IYHMEOMGHBNGTK-QMMMGPOBSA-N -1 1 249.257 1.506 20 0 BDADMM CCC[C@H](O)C(=O)Nc1cc([O-])c(F)cc1F ZINC000822543587 587174566 /nfs/dbraw/zinc/17/45/66/587174566.db2.gz XQZPFLYMMWGELP-VIFPVBQESA-N -1 1 245.225 1.770 20 0 BDADMM Clc1ccc(N2CCC2)nc1-c1nnn[n-]1 ZINC000822573804 587175896 /nfs/dbraw/zinc/17/58/96/587175896.db2.gz JCSZFEUKELLTMV-UHFFFAOYSA-N -1 1 236.666 1.125 20 0 BDADMM Clc1ccc(N2CCC2)nc1-c1nn[n-]n1 ZINC000822573804 587175897 /nfs/dbraw/zinc/17/58/97/587175897.db2.gz JCSZFEUKELLTMV-UHFFFAOYSA-N -1 1 236.666 1.125 20 0 BDADMM COCCCO[N-]C(=O)C1(C)CC(F)(F)C1 ZINC000822914485 587192488 /nfs/dbraw/zinc/19/24/88/587192488.db2.gz VOOXYASSFLYVPT-UHFFFAOYSA-N -1 1 237.246 1.506 20 0 BDADMM CC(C)CCN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824238324 587262408 /nfs/dbraw/zinc/26/24/08/587262408.db2.gz DFYUWBHBTFNUMR-QWRGUYRKSA-N -1 1 244.335 1.389 20 0 BDADMM C[C@@H](Cn1ccnc1-c1nnn[n-]1)C(F)(F)F ZINC000824466728 587271357 /nfs/dbraw/zinc/27/13/57/587271357.db2.gz YKQUBFHRFGIINQ-YFKPBYRVSA-N -1 1 246.196 1.262 20 0 BDADMM C[C@@H](Cn1ccnc1-c1nn[n-]n1)C(F)(F)F ZINC000824466728 587271359 /nfs/dbraw/zinc/27/13/59/587271359.db2.gz YKQUBFHRFGIINQ-YFKPBYRVSA-N -1 1 246.196 1.262 20 0 BDADMM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825059586 587301564 /nfs/dbraw/zinc/30/15/64/587301564.db2.gz HKDQHVYDGRFWEJ-JGVFFNPUSA-N -1 1 247.306 1.503 20 0 BDADMM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825059586 587301565 /nfs/dbraw/zinc/30/15/65/587301565.db2.gz HKDQHVYDGRFWEJ-JGVFFNPUSA-N -1 1 247.306 1.503 20 0 BDADMM CCC(CC)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825108332 587305070 /nfs/dbraw/zinc/30/50/70/587305070.db2.gz VTHCZDTVTLGWPF-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CCC(CC)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825108332 587305072 /nfs/dbraw/zinc/30/50/72/587305072.db2.gz VTHCZDTVTLGWPF-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCF ZINC000825193955 587309036 /nfs/dbraw/zinc/30/90/36/587309036.db2.gz LUDNBRIBOZFOEE-BDAKNGLRSA-N -1 1 218.272 1.467 20 0 BDADMM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825253914 587311452 /nfs/dbraw/zinc/31/14/52/587311452.db2.gz PNURYNCBXSIEHG-CBAPKCEASA-N -1 1 245.290 1.257 20 0 BDADMM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825253914 587311454 /nfs/dbraw/zinc/31/14/54/587311454.db2.gz PNURYNCBXSIEHG-CBAPKCEASA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccco1 ZINC000825479680 587321147 /nfs/dbraw/zinc/32/11/47/587321147.db2.gz PGATZVZTMQMOFN-RKDXNWHRSA-N -1 1 224.260 1.683 20 0 BDADMM C[C@@H](NCCNC(=O)[O-])c1cccnc1Cl ZINC000825496676 587321687 /nfs/dbraw/zinc/32/16/87/587321687.db2.gz UBIOHZHCLPESNF-SSDOTTSWSA-N -1 1 243.694 1.653 20 0 BDADMM Cc1ccccc1[C@H](C)C(=O)N(C)c1nn[n-]n1 ZINC000825531087 587323830 /nfs/dbraw/zinc/32/38/30/587323830.db2.gz HLMOQCSCCYTKRN-VIFPVBQESA-N -1 1 245.286 1.275 20 0 BDADMM CCO[N-]C(=O)[C@@H](N)c1ccccc1C ZINC000826088075 587350644 /nfs/dbraw/zinc/35/06/44/587350644.db2.gz JHSWDVMPQZORGZ-JTQLQIEISA-N -1 1 208.261 1.063 20 0 BDADMM CC(C)(CC(=O)[O-])NCc1nc(C2CC2)no1 ZINC000826542462 587354504 /nfs/dbraw/zinc/35/45/04/587354504.db2.gz XEMARVGGJYGADV-UHFFFAOYSA-N -1 1 239.275 1.290 20 0 BDADMM CC(C)=CCN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000826648282 587357765 /nfs/dbraw/zinc/35/77/65/587357765.db2.gz XBUFSBPAAUOXRU-LLVKDONJSA-N -1 1 229.320 1.763 20 0 BDADMM CCC[C@H](O)C(=O)Nc1cccc(F)c1[O-] ZINC000827448861 587381257 /nfs/dbraw/zinc/38/12/57/587381257.db2.gz XMHAKDDJVYXEBC-VIFPVBQESA-N -1 1 227.235 1.631 20 0 BDADMM C[C@@H](N(C)Cn1cc(C(=O)[O-])nn1)C1(C)CC1 ZINC000827603674 587391925 /nfs/dbraw/zinc/39/19/25/587391925.db2.gz YROJPTQUNGKQIX-MRVPVSSYSA-N -1 1 238.291 1.054 20 0 BDADMM C[C@@H](c1ccncc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827957168 587412844 /nfs/dbraw/zinc/41/28/44/587412844.db2.gz LDAIBEHFIZQZRT-CABZTGNLSA-N -1 1 238.262 1.641 20 0 BDADMM CN(C[C@@H]1CCCN1C/C=C\Cl)C(=O)[O-] ZINC000828224470 587425718 /nfs/dbraw/zinc/42/57/18/587425718.db2.gz YAQPEQGZGOMWBQ-LVCFMKKZSA-N -1 1 232.711 1.813 20 0 BDADMM CC[C@@](C)(CC(=O)[O-])NCc1nonc1C ZINC000828672685 587456608 /nfs/dbraw/zinc/45/66/08/587456608.db2.gz VAULZYSWQSFJQH-JTQLQIEISA-N -1 1 227.264 1.111 20 0 BDADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccnn1C ZINC000828914261 587471727 /nfs/dbraw/zinc/47/17/27/587471727.db2.gz HBPBNPITMCSHEW-QMMMGPOBSA-N -1 1 246.270 1.012 20 0 BDADMM CCc1nnc(CN[C@](C)(CC)CC(=O)[O-])o1 ZINC000830334979 587546179 /nfs/dbraw/zinc/54/61/79/587546179.db2.gz GFNHRWSSOSKUEX-LLVKDONJSA-N -1 1 241.291 1.365 20 0 BDADMM CCCON=C(O)N=c1cn[n-]s1 ZINC000831700701 587627985 /nfs/dbraw/zinc/62/79/85/587627985.db2.gz NFTSSLFUCRZLQO-UHFFFAOYSA-N -1 1 202.239 1.001 20 0 BDADMM O=C([O-])N1CC(NCc2ccccc2)C1 ZINC000831852482 587634829 /nfs/dbraw/zinc/63/48/29/587634829.db2.gz QGBZBWTZZPGBRT-UHFFFAOYSA-N -1 1 206.245 1.138 20 0 BDADMM O=C([O-])N1CC[C@@H](N[C@H]2COc3ccccc32)C1 ZINC000831953381 587638581 /nfs/dbraw/zinc/63/85/81/587638581.db2.gz ISPPENAPVVUXIE-KOLCDFICSA-N -1 1 248.282 1.462 20 0 BDADMM O=C([O-])NC[C@H]1CCCN1Cc1ccccn1 ZINC000832572846 587667805 /nfs/dbraw/zinc/66/78/05/587667805.db2.gz ILBNTYYNEBEUNE-LLVKDONJSA-N -1 1 235.287 1.314 20 0 BDADMM O=C([O-])NCCN1CCC[C@H]1c1ccco1 ZINC000832642383 587672057 /nfs/dbraw/zinc/67/20/57/587672057.db2.gz XZIYEQHJIAGDFA-VIFPVBQESA-N -1 1 224.260 1.684 20 0 BDADMM O=C([O-])[C@@]1(F)CCN(CCc2ccncc2)C1 ZINC000833174302 587700987 /nfs/dbraw/zinc/70/09/87/587700987.db2.gz DJEQEAAMOHOCAS-GFCCVEGCSA-N -1 1 238.262 1.123 20 0 BDADMM CC1(O)CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833571701 587721104 /nfs/dbraw/zinc/72/11/04/587721104.db2.gz JZFBOAJMSFZLJC-UHFFFAOYSA-N -1 1 238.287 1.060 20 0 BDADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cccn1C ZINC000833694162 587728613 /nfs/dbraw/zinc/72/86/13/587728613.db2.gz BWADRDJHHGNGPX-UHFFFAOYSA-N -1 1 247.298 1.683 20 0 BDADMM O=C([O-])N[C@H]1CCN(Cc2ccco2)C1 ZINC000834190046 587748158 /nfs/dbraw/zinc/74/81/58/587748158.db2.gz QUINDPQJKBCRHT-QMMMGPOBSA-N -1 1 210.233 1.122 20 0 BDADMM O=C([O-])NC1CCN(Cc2ccoc2)CC1 ZINC000834189200 587748442 /nfs/dbraw/zinc/74/84/42/587748442.db2.gz IMTQURPAWKEFTJ-UHFFFAOYSA-N -1 1 224.260 1.512 20 0 BDADMM Cc1cnc(C(=O)NOC2CCC2)c([O-])c1 ZINC000836798685 587837167 /nfs/dbraw/zinc/83/71/67/587837167.db2.gz AWVHLQCXEMMXLB-UHFFFAOYSA-N -1 1 222.244 1.310 20 0 BDADMM CSCC(C)(C)C(=O)[N-]OC(C)(C)CO ZINC000836806048 587838226 /nfs/dbraw/zinc/83/82/26/587838226.db2.gz LGLYGNTYCAIOOZ-UHFFFAOYSA-N -1 1 235.349 1.194 20 0 BDADMM CC[C@H](C)CO[N-]C(=O)[C@@H](CC)[C@H](C)O ZINC000842267318 588010113 /nfs/dbraw/zinc/01/01/13/588010113.db2.gz GZHRYIKPBIZGGY-GUBZILKMSA-N -1 1 217.309 1.487 20 0 BDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCO1 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/nfs/dbraw/zinc/28/80/00/589288000.db2.gz ARPLQDPFQIUXSM-UHFFFAOYSA-N -1 1 227.285 1.651 20 0 BDADMM COCCOCc1nnc([N-]c2ccccc2)o1 ZINC000863982261 589333179 /nfs/dbraw/zinc/33/31/79/589333179.db2.gz YRKVOOIHADESTB-UHFFFAOYSA-N -1 1 249.270 1.976 20 0 BDADMM CC/C=C(/F)C(=O)[N-]C1=NCCS1 ZINC000864603603 589382299 /nfs/dbraw/zinc/38/22/99/589382299.db2.gz CVDUCBAWCJBDIS-ZZXKWVIFSA-N -1 1 202.254 1.469 20 0 BDADMM O=C(CC1CSC1)[N-]OCC(F)(F)F ZINC000866733091 589517001 /nfs/dbraw/zinc/51/70/01/589517001.db2.gz AUEQVDNUKCUYTA-UHFFFAOYSA-N -1 1 229.223 1.350 20 0 BDADMM CC(F)(F)C(=O)[N-]Cc1nccnc1Cl ZINC000868238154 589552284 /nfs/dbraw/zinc/55/22/84/589552284.db2.gz LTMLVRMXRDJFPJ-UHFFFAOYSA-N -1 1 235.621 1.401 20 0 BDADMM CCC=C(F)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000868545757 589563602 /nfs/dbraw/zinc/56/36/02/589563602.db2.gz UJGRRRJWLQXTIQ-XQRVVYSFSA-N -1 1 213.212 1.626 20 0 BDADMM O=C([N-]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C(F)(F)F ZINC000871596894 589771514 /nfs/dbraw/zinc/77/15/14/589771514.db2.gz 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/nfs/dbraw/zinc/06/78/03/980067803.db2.gz IFWOPUKZQOLMIL-NSHDSACASA-N -1 1 241.262 1.345 20 0 BDADMM c1cc(-c2nnn[n-]2)nc(N2CC(C3CC3)C2)c1 ZINC001607116661 980083533 /nfs/dbraw/zinc/08/35/33/980083533.db2.gz QTIIDZUDKVILFX-UHFFFAOYSA-N -1 1 242.286 1.108 20 0 BDADMM c1cc(-c2nn[n-]n2)nc(N2CC(C3CC3)C2)c1 ZINC001607116661 980083539 /nfs/dbraw/zinc/08/35/39/980083539.db2.gz QTIIDZUDKVILFX-UHFFFAOYSA-N -1 1 242.286 1.108 20 0 BDADMM c1cc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(-c2nnn[n-]2)c1 ZINC001607121360 980088859 /nfs/dbraw/zinc/08/88/59/980088859.db2.gz PHZOJIISZMELAD-VROVMSAKSA-N -1 1 242.286 1.472 20 0 BDADMM c1cc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(-c2nn[n-]n2)c1 ZINC001607121360 980088878 /nfs/dbraw/zinc/08/88/78/980088878.db2.gz PHZOJIISZMELAD-VROVMSAKSA-N -1 1 242.286 1.472 20 0 BDADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc([O-])cn1 ZINC001607400548 980098474 /nfs/dbraw/zinc/09/84/74/980098474.db2.gz DQJJLXYSRJXXSS-WDEREUQCSA-N -1 1 236.271 1.037 20 0 BDADMM Cc1c(C(=O)[O-])cc(CN2CC(C)(C)C2)n1C 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ZINC001187724336 980542870 /nfs/dbraw/zinc/54/28/70/980542870.db2.gz HXNCBKHEEFMFFD-RNFRBKRXSA-N -1 1 243.694 1.409 20 0 BDADMM Cc1ccc(C)c(C(=O)OCc2nn[n-]n2)c1 ZINC001345157541 980570826 /nfs/dbraw/zinc/57/08/26/980570826.db2.gz PGDNNSUMEPYOTC-UHFFFAOYSA-N -1 1 232.243 1.174 20 0 BDADMM C[N@H+]1CCC[C@@](C)(NC(=O)c2ccncc2O)C1 ZINC001188644341 980676256 /nfs/dbraw/zinc/67/62/56/980676256.db2.gz ALYOJKXZLBRMDH-CYBMUJFWSA-N -1 1 249.314 1.001 20 0 BDADMM CC(=O)CC(C)(C)NC(=O)c1ccncc1[O-] ZINC001188637851 980685387 /nfs/dbraw/zinc/68/53/87/980685387.db2.gz HUHNMWPKQLSJQZ-UHFFFAOYSA-N -1 1 236.271 1.275 20 0 BDADMM O=S(=O)(CCCF)[N-]c1cccs1 ZINC001189868617 980823469 /nfs/dbraw/zinc/82/34/69/980823469.db2.gz SDFGUBOBIRGZLN-UHFFFAOYSA-N -1 1 223.294 1.849 20 0 BDADMM CC(C)c1cccc(C(=O)OCc2nn[n-]n2)c1 ZINC001346448690 980840533 /nfs/dbraw/zinc/84/05/33/980840533.db2.gz AMUSSZVTLWEOHY-UHFFFAOYSA-N -1 1 246.270 1.680 20 0 BDADMM CCc1nc(C(=O)[N-]c2nnco2)cs1 ZINC001190032725 980842061 /nfs/dbraw/zinc/84/20/61/980842061.db2.gz SFNFPQLOZIQPQH-UHFFFAOYSA-N -1 1 224.245 1.341 20 0 BDADMM Cc1noc(Cc2ccc([O-])c(F)c2F)n1 ZINC001250357936 980855794 /nfs/dbraw/zinc/85/57/94/980855794.db2.gz SNUJBUYFLUFLIM-UHFFFAOYSA-N -1 1 226.182 1.953 20 0 BDADMM CN(C)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190257918 980862391 /nfs/dbraw/zinc/86/23/91/980862391.db2.gz MCAFIKVOHUISQO-UHFFFAOYSA-N -1 1 243.266 1.551 20 0 BDADMM CC[C@@H]1CCCN1C(=O)c1cnncc1[O-] ZINC001346799541 980908931 /nfs/dbraw/zinc/90/89/31/980908931.db2.gz SUEJHKFMPDWACJ-MRVPVSSYSA-N -1 1 221.260 1.197 20 0 BDADMM O=C([N-]c1csc2cnccc12)c1ncon1 ZINC001192015643 981117610 /nfs/dbraw/zinc/11/76/10/981117610.db2.gz ZQDDIYCKLSMUDD-UHFFFAOYSA-N -1 1 246.251 1.932 20 0 BDADMM COCCOC(=O)Nc1c(F)cc([O-])cc1F ZINC001193413601 981326180 /nfs/dbraw/zinc/32/61/80/981326180.db2.gz QCTFYPRNPHTGCK-UHFFFAOYSA-N -1 1 247.197 1.865 20 0 BDADMM CCCOC(=O)Nc1ccc(C(N)=O)cc1[O-] ZINC001194131104 981565409 /nfs/dbraw/zinc/56/54/09/981565409.db2.gz 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CN(C(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001587339869 982066875 /nfs/dbraw/zinc/06/68/75/982066875.db2.gz TUGVKMATUVFTOI-UHFFFAOYSA-N -1 1 237.650 1.130 20 0 BDADMM [O-]c1cc(F)c(-c2ccc3nncn3n2)c(F)c1 ZINC001241122992 982247688 /nfs/dbraw/zinc/24/76/88/982247688.db2.gz QIXPCHLGSVRJGQ-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM CCOC(=O)NC(=S)[N-]c1cnccc1C ZINC001195449017 982252351 /nfs/dbraw/zinc/25/23/51/982252351.db2.gz ACSCNIRLJZZZDP-UHFFFAOYSA-N -1 1 239.300 1.833 20 0 BDADMM Cn1cnc2cnc(-c3cc([O-])cc(F)c3)nc21 ZINC001241256623 982394261 /nfs/dbraw/zinc/39/42/61/982394261.db2.gz ZAKJGHRAFUMVCV-UHFFFAOYSA-N -1 1 244.229 1.875 20 0 BDADMM CNC(=O)c1cnc(-c2cc([O-])cc(F)c2)nc1 ZINC001241256618 982394702 /nfs/dbraw/zinc/39/47/02/982394702.db2.gz YVMVECZWIAFRTL-UHFFFAOYSA-N -1 1 247.229 1.348 20 0 BDADMM Nc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241289907 982427063 /nfs/dbraw/zinc/42/70/63/982427063.db2.gz FFRJWIMHMCJQFO-UHFFFAOYSA-N -1 1 223.182 1.710 20 0 BDADMM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1ncccc1[O-] ZINC001300086274 982559602 /nfs/dbraw/zinc/55/96/02/982559602.db2.gz UUDPYYIKPRPZTG-KKZNHRDASA-N -1 1 248.282 1.085 20 0 BDADMM C[C@H](CN(C)Cc1ccncc1F)C(=O)[O-] ZINC001589034348 982585154 /nfs/dbraw/zinc/58/51/54/982585154.db2.gz YOKAWVXDYXKRAA-MRVPVSSYSA-N -1 1 226.251 1.373 20 0 BDADMM CC1=C[C@H](C)CN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001589257155 982683904 /nfs/dbraw/zinc/68/39/04/982683904.db2.gz YGBNPKZHTUQIHB-VIFPVBQESA-N -1 1 249.314 1.516 20 0 BDADMM C=CS(=O)(=O)[N-]c1cc(F)cnc1OC ZINC001198573189 982763447 /nfs/dbraw/zinc/76/34/47/982763447.db2.gz JPIUPVJNPBBRAV-UHFFFAOYSA-N -1 1 232.236 1.115 20 0 BDADMM C=CS(=O)(=O)[N-]c1cn(CC2CC2)cn1 ZINC001198574229 982767836 /nfs/dbraw/zinc/76/78/36/982767836.db2.gz UYYOXXNBROOLRT-UHFFFAOYSA-N -1 1 227.289 1.178 20 0 BDADMM C=CS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC001198555315 982776326 /nfs/dbraw/zinc/77/63/26/982776326.db2.gz DIHXHKYUIVUSPH-UHFFFAOYSA-N -1 1 218.665 1.620 20 0 BDADMM CC(C)CCN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001589600481 982846082 /nfs/dbraw/zinc/84/60/82/982846082.db2.gz LKBVLGPDXGKQMI-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CC(C)CCN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001589600481 982846084 /nfs/dbraw/zinc/84/60/84/982846084.db2.gz LKBVLGPDXGKQMI-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CC(C)[C@@H](C)N(C)C(=O)c1cnncc1[O-] ZINC001353457920 982866080 /nfs/dbraw/zinc/86/60/80/982866080.db2.gz KYFMZBDEUZPPRJ-MRVPVSSYSA-N -1 1 223.276 1.299 20 0 BDADMM CC1(NC(=O)c2cnncc2[O-])CCCCC1 ZINC001353539987 982886269 /nfs/dbraw/zinc/88/62/69/982886269.db2.gz ADUDILMFGKJVMN-UHFFFAOYSA-N -1 1 235.287 1.635 20 0 BDADMM C[C@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590240383 982906079 /nfs/dbraw/zinc/90/60/79/982906079.db2.gz SAERNAQCLAVBHA-IUCAKERBSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590240383 982906086 /nfs/dbraw/zinc/90/60/86/982906086.db2.gz SAERNAQCLAVBHA-IUCAKERBSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590264564 982906260 /nfs/dbraw/zinc/90/62/60/982906260.db2.gz MJSOWRBVDTVERG-ZETCQYMHSA-N -1 1 247.258 1.084 20 0 BDADMM C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590264564 982906277 /nfs/dbraw/zinc/90/62/77/982906277.db2.gz MJSOWRBVDTVERG-ZETCQYMHSA-N -1 1 247.258 1.084 20 0 BDADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cnncc1[O-] ZINC001353599723 982910292 /nfs/dbraw/zinc/91/02/92/982910292.db2.gz UFXKYBJLTZPWKI-RKDXNWHRSA-N -1 1 235.287 1.443 20 0 BDADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H]1C ZINC001590313005 982916177 /nfs/dbraw/zinc/91/61/77/982916177.db2.gz AIRNMTXZMMTWRW-DTORHVGOSA-N -1 1 244.302 1.354 20 0 BDADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H]1C ZINC001590313005 982916199 /nfs/dbraw/zinc/91/61/99/982916199.db2.gz AIRNMTXZMMTWRW-DTORHVGOSA-N -1 1 244.302 1.354 20 0 BDADMM CC[C@H](COc1cccnc1-c1nnn[n-]1)OC ZINC001590446625 982940406 /nfs/dbraw/zinc/94/04/06/982940406.db2.gz DXJVEXFBARXCML-MRVPVSSYSA-N -1 1 249.274 1.066 20 0 BDADMM CC[C@H](COc1cccnc1-c1nn[n-]n1)OC ZINC001590446625 982940414 /nfs/dbraw/zinc/94/04/14/982940414.db2.gz DXJVEXFBARXCML-MRVPVSSYSA-N -1 1 249.274 1.066 20 0 BDADMM CC[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590515115 982948799 /nfs/dbraw/zinc/94/87/99/982948799.db2.gz WZYAWKGGJFKSKG-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM CC[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590515115 982948820 /nfs/dbraw/zinc/94/88/20/982948820.db2.gz WZYAWKGGJFKSKG-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM CCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590552891 982954236 /nfs/dbraw/zinc/95/42/36/982954236.db2.gz IPLTVKSEUSLETL-ZETCQYMHSA-N -1 1 249.274 1.378 20 0 BDADMM CCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590552891 982954252 /nfs/dbraw/zinc/95/42/52/982954252.db2.gz IPLTVKSEUSLETL-ZETCQYMHSA-N -1 1 249.274 1.378 20 0 BDADMM CCCN(CC)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590622408 982964284 /nfs/dbraw/zinc/96/42/84/982964284.db2.gz WTJBAGTVGKQMQV-UHFFFAOYSA-N -1 1 247.306 1.201 20 0 BDADMM CCCN(CC)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590622408 982964288 /nfs/dbraw/zinc/96/42/88/982964288.db2.gz WTJBAGTVGKQMQV-UHFFFAOYSA-N -1 1 247.306 1.201 20 0 BDADMM CCCN(c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001590632433 982964647 /nfs/dbraw/zinc/96/46/47/982964647.db2.gz QNTBOEDQLRBZIJ-UHFFFAOYSA-N -1 1 247.306 1.282 20 0 BDADMM Cc1ncc(C(=O)N(C)C(C)(C)CC(=O)[O-])[nH]1 ZINC001118972458 982969936 /nfs/dbraw/zinc/96/99/36/982969936.db2.gz FMYDZXVJTBBSTM-UHFFFAOYSA-N -1 1 239.275 1.043 20 0 BDADMM CCN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590676611 982977158 /nfs/dbraw/zinc/97/71/58/982977158.db2.gz JSAFFNHIGMUBSD-UHFFFAOYSA-N -1 1 249.249 1.098 20 0 BDADMM CCN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590676611 982977167 /nfs/dbraw/zinc/97/71/67/982977167.db2.gz JSAFFNHIGMUBSD-UHFFFAOYSA-N -1 1 249.249 1.098 20 0 BDADMM Cc1cnc(CN[C@H](CC(=O)[O-])C(C)(C)C)o1 ZINC001120272314 983023525 /nfs/dbraw/zinc/02/35/25/983023525.db2.gz DLWCKQCNPVQCEN-SECBINFHSA-N -1 1 240.303 1.962 20 0 BDADMM COCCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591415883 983066814 /nfs/dbraw/zinc/06/68/14/983066814.db2.gz CMHAGIOWWHMDIX-UHFFFAOYSA-N -1 1 248.290 1.019 20 0 BDADMM COCCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591415883 983066830 /nfs/dbraw/zinc/06/68/30/983066830.db2.gz CMHAGIOWWHMDIX-UHFFFAOYSA-N -1 1 248.290 1.019 20 0 BDADMM C[C@]1(C(=O)[O-])CCC[C@@H]1NCc1csnn1 ZINC001353910174 983073801 /nfs/dbraw/zinc/07/38/01/983073801.db2.gz QPJCDNBMVXJHBF-WPRPVWTQSA-N -1 1 241.316 1.271 20 0 BDADMM CCCOC(=O)[C@H](C)N1CCC[C@H]1CC(=O)[O-] ZINC001595937218 983083617 /nfs/dbraw/zinc/08/36/17/983083617.db2.gz XWHFAXVDERDXIQ-UWVGGRQHSA-N -1 1 243.303 1.267 20 0 BDADMM c1nc(-c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001241890410 983106600 /nfs/dbraw/zinc/10/66/00/983106600.db2.gz WRKSDJRQJXXRGE-UHFFFAOYSA-N -1 1 230.256 1.385 20 0 BDADMM c1nc(-c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001241890410 983106606 /nfs/dbraw/zinc/10/66/06/983106606.db2.gz WRKSDJRQJXXRGE-UHFFFAOYSA-N -1 1 230.256 1.385 20 0 BDADMM Cc1ccc(NCC(C)C)c(-c2nnn[n-]2)n1 ZINC001592182930 983118336 /nfs/dbraw/zinc/11/83/36/983118336.db2.gz FWAINKFUQGNLMC-UHFFFAOYSA-N -1 1 232.291 1.638 20 0 BDADMM Cc1ccc(NCC(C)C)c(-c2nn[n-]n2)n1 ZINC001592182930 983118344 /nfs/dbraw/zinc/11/83/44/983118344.db2.gz FWAINKFUQGNLMC-UHFFFAOYSA-N -1 1 232.291 1.638 20 0 BDADMM Cc1ccc(N[C@H]2CC2(C)C)c(-c2nnn[n-]2)n1 ZINC001592186673 983121736 /nfs/dbraw/zinc/12/17/36/983121736.db2.gz WAWWEJZXRORQAO-VIFPVBQESA-N -1 1 244.302 1.781 20 0 BDADMM Cc1ccc(N[C@H]2CC2(C)C)c(-c2nn[n-]n2)n1 ZINC001592186673 983121737 /nfs/dbraw/zinc/12/17/37/983121737.db2.gz WAWWEJZXRORQAO-VIFPVBQESA-N -1 1 244.302 1.781 20 0 BDADMM FC(F)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592625706 983186973 /nfs/dbraw/zinc/18/69/73/983186973.db2.gz XLJPNIZTGKSJSJ-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM FC(F)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592625706 983186977 /nfs/dbraw/zinc/18/69/77/983186977.db2.gz XLJPNIZTGKSJSJ-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM c1c[nH]c(SCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001593544950 983297067 /nfs/dbraw/zinc/29/70/67/983297067.db2.gz RWOKAEJYPCGECY-UHFFFAOYSA-N -1 1 248.271 1.475 20 0 BDADMM c1c[nH]c(SCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001593544950 983297074 /nfs/dbraw/zinc/29/70/74/983297074.db2.gz RWOKAEJYPCGECY-UHFFFAOYSA-N -1 1 248.271 1.475 20 0 BDADMM c1csc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001593589413 983309947 /nfs/dbraw/zinc/30/99/47/983309947.db2.gz ZHANABVYAFBECH-UHFFFAOYSA-N -1 1 247.287 1.263 20 0 BDADMM c1csc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001593589413 983309953 /nfs/dbraw/zinc/30/99/53/983309953.db2.gz ZHANABVYAFBECH-UHFFFAOYSA-N -1 1 247.287 1.263 20 0 BDADMM O=C(NC1CCC(=O)CC1)c1ccc([O-])cn1 ZINC001593716156 983341806 /nfs/dbraw/zinc/34/18/06/983341806.db2.gz SRUVEZHTTCYLSG-UHFFFAOYSA-N -1 1 234.255 1.029 20 0 BDADMM COC(=O)c1occc1CN[C@@H](C)CC(=O)[O-] ZINC001593899025 983389743 /nfs/dbraw/zinc/38/97/43/983389743.db2.gz ZDCHSSULLQGSDO-ZETCQYMHSA-N -1 1 241.243 1.019 20 0 BDADMM Cc1cccc(-c2ncc3c(n2)NC(=O)C3)c1[O-] ZINC001242344205 983592737 /nfs/dbraw/zinc/59/27/37/983592737.db2.gz QKCZHRQMSSRBEW-UHFFFAOYSA-N -1 1 241.250 1.652 20 0 BDADMM NC(=O)c1ccncc1-c1cccc(F)c1[O-] ZINC001242351681 983623529 /nfs/dbraw/zinc/62/35/29/983623529.db2.gz OPJRHLHDQBEVRM-UHFFFAOYSA-N -1 1 232.214 1.692 20 0 BDADMM CCn1nc(-c2cccc(F)c2[O-])ccc1=O ZINC001242352686 983627594 /nfs/dbraw/zinc/62/75/94/983627594.db2.gz NEGMOXBWFCAAPF-UHFFFAOYSA-N -1 1 234.230 1.775 20 0 BDADMM Cc1oncc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242602610 983955981 /nfs/dbraw/zinc/95/59/81/983955981.db2.gz JWJQKXKPZCNEBA-UHFFFAOYSA-N -1 1 228.215 1.225 20 0 BDADMM Cc1oncc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242602610 983955990 /nfs/dbraw/zinc/95/59/90/983955990.db2.gz JWJQKXKPZCNEBA-UHFFFAOYSA-N -1 1 228.215 1.225 20 0 BDADMM NCc1ncc(-c2ccccc2C(=O)[O-])cn1 ZINC001242877734 984218504 /nfs/dbraw/zinc/21/85/04/984218504.db2.gz LJJYOQWKXFAZSG-UHFFFAOYSA-N -1 1 229.239 1.301 20 0 BDADMM CC(C)[C@@H](CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001545887902 984274181 /nfs/dbraw/zinc/27/41/81/984274181.db2.gz SBEFCHRKOTVNQK-SNVBAGLBSA-N -1 1 241.262 1.278 20 0 BDADMM COC(=O)c1nccnc1-c1ccc(F)c([O-])c1 ZINC001243047928 984395081 /nfs/dbraw/zinc/39/50/81/984395081.db2.gz HIVVUWOGHJQREW-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM CCN(C(=O)c1ccc([O-])cn1)C(C)C ZINC001441926190 984485839 /nfs/dbraw/zinc/48/58/39/984485839.db2.gz AEVBDHUOGGKHIH-UHFFFAOYSA-N -1 1 208.261 1.658 20 0 BDADMM Cc1occc1CNC(=O)c1cnncc1[O-] ZINC001442663209 984502624 /nfs/dbraw/zinc/50/26/24/984502624.db2.gz WJSMKSWQOITBSX-UHFFFAOYSA-N -1 1 233.227 1.014 20 0 BDADMM Cc1ncc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001443216518 984511500 /nfs/dbraw/zinc/51/15/00/984511500.db2.gz MVABCGGVHNITBK-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM Cc1cnccc1NC(=O)c1cccc([O-])c1F ZINC001443542501 984530142 /nfs/dbraw/zinc/53/01/42/984530142.db2.gz GQTGHXHBJXFEEB-UHFFFAOYSA-N -1 1 246.241 1.909 20 0 BDADMM CCCn1cc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001444693656 984571226 /nfs/dbraw/zinc/57/12/26/984571226.db2.gz 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PAVMSDQFHSVCRN-ZETCQYMHSA-N -1 1 223.276 1.880 20 0 BDADMM CC(C)Cn1ccc(C(=O)Nc2c[n-][nH]c2=O)n1 ZINC001457829728 985239068 /nfs/dbraw/zinc/23/90/68/985239068.db2.gz NUJLGANRRIGTKR-UHFFFAOYSA-N -1 1 249.274 1.220 20 0 BDADMM CCOC[C@@H](C(=O)[O-])N(C)CCSC(C)C ZINC001596884445 985769920 /nfs/dbraw/zinc/76/99/20/985769920.db2.gz MBSOSFRIUZRSCI-JTQLQIEISA-N -1 1 249.376 1.550 20 0 BDADMM Cc1nc[nH]c1C(=O)OCCCCCC(=O)[O-] ZINC001599967791 985941333 /nfs/dbraw/zinc/94/13/33/985941333.db2.gz OIGGCRATLXZYSU-UHFFFAOYSA-N -1 1 240.259 1.520 20 0 BDADMM CN(C(=O)C=Cc1ccccc1F)c1nn[n-]n1 ZINC001461559992 986078566 /nfs/dbraw/zinc/07/85/66/986078566.db2.gz RTAISSNQANXTIJ-VOTSOKGWSA-N -1 1 247.233 1.015 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC001327916453 986176761 /nfs/dbraw/zinc/17/67/61/986176761.db2.gz JQLXKRKOYNDCIC-XPUUQOCRSA-N -1 1 239.275 1.177 20 0 BDADMM O=C(NCCn1ccnc1)c1cccc([O-])c1F ZINC001464132130 986615258 /nfs/dbraw/zinc/61/52/58/986615258.db2.gz SJSCYOAOMUGXCM-UHFFFAOYSA-N -1 1 249.245 1.158 20 0 BDADMM O=C1Cc2cc(C3=CCCOC3)ccc2C(=O)[N-]1 ZINC001245160712 986708106 /nfs/dbraw/zinc/70/81/06/986708106.db2.gz QQLDNGFZVXTCJK-UHFFFAOYSA-N -1 1 243.262 1.303 20 0 BDADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cn2)CCO1 ZINC001466099617 986769967 /nfs/dbraw/zinc/76/99/67/986769967.db2.gz SNQOWUSJYZLXCK-DTWKUNHWSA-N -1 1 236.271 1.085 20 0 BDADMM O=C(Nc1ccc(F)nc1)c1ccc([O-])cn1 ZINC001137323491 986773764 /nfs/dbraw/zinc/77/37/64/986773764.db2.gz OTYDBSOYNSAVQA-UHFFFAOYSA-N -1 1 233.202 1.574 20 0 BDADMM CC[C@](C)(CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001466632321 986816125 /nfs/dbraw/zinc/81/61/25/986816125.db2.gz KLEFYNUUUVETKI-GFCCVEGCSA-N -1 1 241.262 1.422 20 0 BDADMM CN(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC001468003232 986878273 /nfs/dbraw/zinc/87/82/73/986878273.db2.gz GYHGVOWACVHZAL-UHFFFAOYSA-N -1 1 230.214 1.171 20 0 BDADMM O=C(CNc1ccccc1)Nc1c[n-][nH]c1=O ZINC001580557443 986904844 /nfs/dbraw/zinc/90/48/44/986904844.db2.gz ATYYXCGSPAVPBJ-UHFFFAOYSA-N -1 1 232.243 1.166 20 0 BDADMM CC[C@@H](CO)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001468471715 986918724 /nfs/dbraw/zinc/91/87/24/986918724.db2.gz WMMIOYQNADVHMD-VIFPVBQESA-N -1 1 241.262 1.374 20 0 BDADMM C[C@@H](CCO)N(C)C(=O)c1cccc([O-])c1F ZINC001469742165 986996384 /nfs/dbraw/zinc/99/63/84/986996384.db2.gz NTADKTPNLPPNMT-QMMMGPOBSA-N -1 1 241.262 1.374 20 0 BDADMM [NH3+]Cc1cc(-c2c(O)cccc2F)ncn1 ZINC001245652179 987013764 /nfs/dbraw/zinc/01/37/64/987013764.db2.gz SJIWMYAYNNWLJD-UHFFFAOYSA-N -1 1 219.219 1.447 20 0 BDADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccsc1 ZINC001471659410 987103662 /nfs/dbraw/zinc/10/36/62/987103662.db2.gz BWYVWFMCVMEEKD-UHFFFAOYSA-N -1 1 249.299 1.070 20 0 BDADMM O=C(NC1CSC1)c1cccc([O-])c1F ZINC001472009519 987157252 /nfs/dbraw/zinc/15/72/52/987157252.db2.gz TZUAKKQLADLYDA-UHFFFAOYSA-N -1 1 227.260 1.377 20 0 BDADMM CNC(=S)n1[n-]c(CC2CCC2)cc1=O ZINC001245937345 987207474 /nfs/dbraw/zinc/20/74/74/987207474.db2.gz OOYCSEAQCQIIOW-UHFFFAOYSA-N -1 1 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238.243 1.268 20 0 BDADMM COC(=O)c1c[n-]c(O[C@H]2CCC(F)(F)C2)n1 ZINC001230281853 977157511 /nfs/dbraw/zinc/15/75/11/977157511.db2.gz JIHPQYOKOJTSLY-LURJTMIESA-N -1 1 246.213 1.763 20 0 BDADMM COC(=O)c1c[n-]c(O[C@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC001230281719 977157804 /nfs/dbraw/zinc/15/78/04/977157804.db2.gz FHRVRLMXKAIZGN-XKSSXDPKSA-N -1 1 234.255 1.540 20 0 BDADMM Cn1cncc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947213 977182421 /nfs/dbraw/zinc/18/24/21/977182421.db2.gz GASWCDBCCDQPPK-UHFFFAOYSA-N -1 1 231.255 1.791 20 0 BDADMM CN(C(=O)c1cnncc1[O-])C(C1CC1)C1CC1 ZINC001335742437 977253019 /nfs/dbraw/zinc/25/30/19/977253019.db2.gz ZDNJVOPEXANMIH-UHFFFAOYSA-N -1 1 247.298 1.443 20 0 BDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cnncc1O ZINC001335764483 977270812 /nfs/dbraw/zinc/27/08/12/977270812.db2.gz BMWOUIZZDLRPDO-RKDXNWHRSA-N -1 1 235.287 1.585 20 0 BDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cnncc1[O-] ZINC001335764483 977270830 /nfs/dbraw/zinc/27/08/30/977270830.db2.gz BMWOUIZZDLRPDO-RKDXNWHRSA-N -1 1 235.287 1.585 20 0 BDADMM Cc1ncn(-c2ccc(C(=O)[O-])c(F)c2)c1N ZINC001175158008 977274041 /nfs/dbraw/zinc/27/40/41/977274041.db2.gz JTTLVZRGJCYJQC-UHFFFAOYSA-N -1 1 235.218 1.600 20 0 BDADMM Cc1ccc(CNC(=O)c2ncccc2[O-])n1C ZINC001335881250 977346148 /nfs/dbraw/zinc/34/61/48/977346148.db2.gz MQUDBPQGQLDYFG-UHFFFAOYSA-N -1 1 245.282 1.364 20 0 BDADMM CCC(CC)N(CC)C(=O)c1cnncc1[O-] ZINC001335920287 977363757 /nfs/dbraw/zinc/36/37/57/977363757.db2.gz MOPMXXYMHAHEFB-UHFFFAOYSA-N -1 1 237.303 1.833 20 0 BDADMM COc1ccc([N-]c2nnc(C)o2)c(OC)n1 ZINC001175582877 977514869 /nfs/dbraw/zinc/51/48/69/977514869.db2.gz ZBTKBQOKQPQIEM-UHFFFAOYSA-N -1 1 236.231 1.534 20 0 BDADMM Cc1c[nH]c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001594267896 977595165 /nfs/dbraw/zinc/59/51/65/977595165.db2.gz SJPXKTHIPUNFBI-WPRPVWTQSA-N -1 1 237.303 1.261 20 0 BDADMM COc1nonc1[N-]c1ccc2cn(C)nc2c1 ZINC001175611220 977619564 /nfs/dbraw/zinc/61/95/64/977619564.db2.gz XGGKTYKHYKJYQB-UHFFFAOYSA-N -1 1 245.242 1.709 20 0 BDADMM Cc1[nH]nc2ccc([N-]c3nnco3)cc12 ZINC001175693020 977621723 /nfs/dbraw/zinc/62/17/23/977621723.db2.gz VQUJQWMFBGHAKR-UHFFFAOYSA-N -1 1 215.216 1.998 20 0 BDADMM Cc1ccc(-c2nc([C@@H](N)CC(=O)[O-])no2)o1 ZINC001594335402 977626751 /nfs/dbraw/zinc/62/67/51/977626751.db2.gz ROMHRHIBBVRGIM-LURJTMIESA-N -1 1 237.215 1.113 20 0 BDADMM O=C(c1cnncc1[O-])N1CCC2(CCC2)C1 ZINC001336405302 977662741 /nfs/dbraw/zinc/66/27/41/977662741.db2.gz WXDWYEZZMBGWAK-UHFFFAOYSA-N -1 1 233.271 1.198 20 0 BDADMM Cc1nnsc1[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC001594495352 977691673 /nfs/dbraw/zinc/69/16/73/977691673.db2.gz QQQWSUZSLRQYAQ-HTRCEHHLSA-N -1 1 243.332 1.560 20 0 BDADMM O=C([O-])COc1ccccc1CN1CC=CC1 ZINC001231789733 977747991 /nfs/dbraw/zinc/74/79/91/977747991.db2.gz WBRRDQJIJSUNFN-UHFFFAOYSA-N -1 1 233.267 1.522 20 0 BDADMM N[C@@H](CC(=O)[O-])c1noc([C@@H]2CC=CCC2)n1 ZINC001594660106 977761989 /nfs/dbraw/zinc/76/19/89/977761989.db2.gz HOLZWXQONJSQSR-SFYZADRCSA-N -1 1 237.259 1.368 20 0 BDADMM 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ZINC001601665306 978828402 /nfs/dbraw/zinc/82/84/02/978828402.db2.gz YGERVGJPPBBVQR-YFKPBYRVSA-N -1 1 231.252 1.197 20 0 BDADMM O=C([O-])[C@H]1[C@@H](CN2CC(C(F)F)C2)C1(F)F ZINC001601747898 978841586 /nfs/dbraw/zinc/84/15/86/978841586.db2.gz DLCZFACVWMMXJV-PHDIDXHHSA-N -1 1 241.184 1.149 20 0 BDADMM O=C([O-])c1ccc(N2CCc3cnccc32)nn1 ZINC001602372867 979111754 /nfs/dbraw/zinc/11/17/54/979111754.db2.gz CTLQLCBZSVNQER-UHFFFAOYSA-N -1 1 242.238 1.264 20 0 BDADMM O=C([O-])c1cccc(CN2CC=C[C@H]2CO)c1 ZINC001602436669 979115658 /nfs/dbraw/zinc/11/56/58/979115658.db2.gz HYHHCKSRSQGFIP-LBPRGKRZSA-N -1 1 233.267 1.118 20 0 BDADMM O=C([O-])c1ccccc1CSCc1nnc[nH]1 ZINC001602470336 979116194 /nfs/dbraw/zinc/11/61/94/979116194.db2.gz HZSPJAQGWMIZCY-UHFFFAOYSA-N -1 1 249.295 1.936 20 0 BDADMM O=C([O-])c1cnc(CN2C[C@@H]3CCCC[C@@H]32)cn1 ZINC001602520437 979122289 /nfs/dbraw/zinc/12/22/89/979122289.db2.gz YIIDQZOAUAGVOR-CABZTGNLSA-N -1 1 247.298 1.549 20 0 BDADMM O=C([O-])c1n[nH]c2c1CN(CC1=CCCC1)CC2 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979541993 /nfs/dbraw/zinc/54/19/93/979541993.db2.gz KCNUOCKDKRSRJV-UHFFFAOYSA-N -1 1 249.299 1.020 20 0 BDADMM C/C=C(\C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603961207 979547756 /nfs/dbraw/zinc/54/77/56/979547756.db2.gz AEHMAMSPCTZHQE-XVNBXDOJSA-N -1 1 248.242 1.469 20 0 BDADMM C/C=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603961207 979547766 /nfs/dbraw/zinc/54/77/66/979547766.db2.gz AEHMAMSPCTZHQE-XVNBXDOJSA-N -1 1 248.242 1.469 20 0 BDADMM CC[C@H]1CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001604108008 979576081 /nfs/dbraw/zinc/57/60/81/979576081.db2.gz LBCYNBVNCGGOKS-QMMMGPOBSA-N -1 1 230.275 1.250 20 0 BDADMM CC[C@H]1CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001604108008 979576087 /nfs/dbraw/zinc/57/60/87/979576087.db2.gz LBCYNBVNCGGOKS-QMMMGPOBSA-N -1 1 230.275 1.250 20 0 BDADMM C[C@H](NCC(C)(F)F)[C@@H]1C[C@H]1C(=O)[O-] ZINC001604331626 979617343 /nfs/dbraw/zinc/61/73/43/979617343.db2.gz DKIRTIPFQBGNIZ-LYFYHCNISA-N -1 1 207.220 1.340 20 0 BDADMM CC12CC(C1)CN2Cc1cc(C(=O)[O-])no1 ZINC001604602998 979684568 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238.193 1.431 20 0 BDADMM CCOC(=O)NC(=S)[N-]c1ccccc1O ZINC001195487740 982293184 /nfs/dbraw/zinc/29/31/84/982293184.db2.gz ZKHJKMQJZBOXMU-UHFFFAOYSA-N -1 1 240.284 1.835 20 0 BDADMM C=C/C=C\CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001588529748 982298508 /nfs/dbraw/zinc/29/85/08/982298508.db2.gz FJWCHTXSCYCAID-ARJAWSKDSA-N -1 1 242.286 1.806 20 0 BDADMM C=C/C=C\CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001588529748 982298518 /nfs/dbraw/zinc/29/85/18/982298518.db2.gz FJWCHTXSCYCAID-ARJAWSKDSA-N -1 1 242.286 1.806 20 0 BDADMM CC(C)N(CC(=O)[O-])Cc1cc(F)ncc1F ZINC001588918203 982525390 /nfs/dbraw/zinc/52/53/90/982525390.db2.gz PAGZKDBDFLQDID-UHFFFAOYSA-N -1 1 244.241 1.655 20 0 BDADMM C[C@H](CC(=O)[O-])Nc1ccncc1C(F)(F)F ZINC001589007541 982570149 /nfs/dbraw/zinc/57/01/49/982570149.db2.gz GOVJMEMCACQFGO-ZCFIWIBFSA-N -1 1 248.204 1.797 20 0 BDADMM C=CS(=O)(=O)[N-]c1cccc2nccnc12 ZINC001198611020 982793773 /nfs/dbraw/zinc/79/37/73/982793773.db2.gz TYKMDGQFPJRMNN-UHFFFAOYSA-N -1 1 235.268 1.515 20 0 BDADMM CC(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589551036 982820986 /nfs/dbraw/zinc/82/09/86/982820986.db2.gz RZYQGKKKRSXKJT-QMMMGPOBSA-N -1 1 247.306 1.503 20 0 BDADMM CC(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589551036 982820988 /nfs/dbraw/zinc/82/09/88/982820988.db2.gz RZYQGKKKRSXKJT-QMMMGPOBSA-N -1 1 247.306 1.503 20 0 BDADMM CC(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589600769 982844009 /nfs/dbraw/zinc/84/40/09/982844009.db2.gz VWAYNIWYTVIDNT-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CC(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589600769 982844011 /nfs/dbraw/zinc/84/40/11/982844011.db2.gz VWAYNIWYTVIDNT-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CCCN(CCCCC(=O)[O-])CC(=O)OCC ZINC001595879335 982880532 /nfs/dbraw/zinc/88/05/32/982880532.db2.gz KTRQZGICKVAKEU-UHFFFAOYSA-N -1 1 245.319 1.516 20 0 BDADMM CCCC(C)(C)NC(=O)c1cnncc1[O-] ZINC001353554149 982888928 /nfs/dbraw/zinc/88/89/28/982888928.db2.gz PGPVLMPVBXYOPV-UHFFFAOYSA-N -1 1 223.276 1.491 20 0 BDADMM C[C@@H]1CCC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590246181 982910049 /nfs/dbraw/zinc/91/00/49/982910049.db2.gz CDEXJTMJBHRJNW-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CCC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590246181 982910071 /nfs/dbraw/zinc/91/00/71/982910071.db2.gz CDEXJTMJBHRJNW-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM C/C=C\CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590355292 982932160 /nfs/dbraw/zinc/93/21/60/982932160.db2.gz QSPVJPWYUIZXBT-ARJAWSKDSA-N -1 1 230.275 1.558 20 0 BDADMM C/C=C\CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590355292 982932177 /nfs/dbraw/zinc/93/21/77/982932177.db2.gz QSPVJPWYUIZXBT-ARJAWSKDSA-N -1 1 230.275 1.558 20 0 BDADMM CC[C@H](C)CON=c1cc(-c2nn[n-]n2)cn[nH]1 ZINC001590407963 982937524 /nfs/dbraw/zinc/93/75/24/982937524.db2.gz AYOJZYBYGUOYMH-ZETCQYMHSA-N -1 1 249.278 1.046 20 0 BDADMM CCC(CC)CNc1ncncc1-c1nn[n-]n1 ZINC001590434366 982941893 /nfs/dbraw/zinc/94/18/93/982941893.db2.gz LKUHIXZSYFKGBX-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590552889 982949765 /nfs/dbraw/zinc/94/97/65/982949765.db2.gz IPLTVKSEUSLETL-SSDOTTSWSA-N -1 1 249.274 1.378 20 0 BDADMM CCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590552889 982949775 /nfs/dbraw/zinc/94/97/75/982949775.db2.gz IPLTVKSEUSLETL-SSDOTTSWSA-N -1 1 249.274 1.378 20 0 BDADMM CCCN(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001590619735 982959998 /nfs/dbraw/zinc/95/99/98/982959998.db2.gz BFCRCMYJRFHAKU-UHFFFAOYSA-N -1 1 232.291 1.416 20 0 BDADMM CCCN(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001590619735 982960004 /nfs/dbraw/zinc/96/00/04/982960004.db2.gz BFCRCMYJRFHAKU-UHFFFAOYSA-N -1 1 232.291 1.416 20 0 BDADMM CCCCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590594377 982964752 /nfs/dbraw/zinc/96/47/52/982964752.db2.gz IUQRTIUPWBHDLJ-UHFFFAOYSA-N -1 1 247.306 1.071 20 0 BDADMM CCCN(c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001590631890 982966536 /nfs/dbraw/zinc/96/65/36/982966536.db2.gz BALVDKXVQVLWPO-UHFFFAOYSA-N -1 1 247.306 1.282 20 0 BDADMM CCCN(c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001590631890 982966546 /nfs/dbraw/zinc/96/65/46/982966546.db2.gz BALVDKXVQVLWPO-UHFFFAOYSA-N -1 1 247.306 1.282 20 0 BDADMM CCCSc1cccnc1-c1nnn[n-]1 ZINC001590651832 982969290 /nfs/dbraw/zinc/96/92/90/982969290.db2.gz LZPYCKOCESCNHN-UHFFFAOYSA-N -1 1 221.289 1.764 20 0 BDADMM CCCSc1cccnc1-c1nn[n-]n1 ZINC001590651832 982969297 /nfs/dbraw/zinc/96/92/97/982969297.db2.gz LZPYCKOCESCNHN-UHFFFAOYSA-N -1 1 221.289 1.764 20 0 BDADMM CCc1nnc(-c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001590929770 983017768 /nfs/dbraw/zinc/01/77/68/983017768.db2.gz SYCPFJRQGKLGBE-UHFFFAOYSA-N -1 1 246.230 1.381 20 0 BDADMM CCc1nnc(-c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001590929770 983017778 /nfs/dbraw/zinc/01/77/78/983017778.db2.gz SYCPFJRQGKLGBE-UHFFFAOYSA-N -1 1 246.230 1.381 20 0 BDADMM C(OCC1CC2(CCC2)C1)c1nn[n-]n1 ZINC001353926429 983083472 /nfs/dbraw/zinc/08/34/72/983083472.db2.gz PXBFYQXTLCJLFG-UHFFFAOYSA-N -1 1 208.265 1.297 20 0 BDADMM Cc1cnc(CNCCCC(C)(C)C(=O)[O-])o1 ZINC001353944569 983094139 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/nfs/dbraw/zinc/89/44/07/982894407.db2.gz DFWFJBYJOXNJMM-LLVKDONJSA-N -1 1 245.290 1.257 20 0 BDADMM CC1(C)C[C@@]1(C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590085685 982894408 /nfs/dbraw/zinc/89/44/08/982894408.db2.gz DFWFJBYJOXNJMM-LLVKDONJSA-N -1 1 245.290 1.257 20 0 BDADMM CC1(Cn2cccc(-c3nn[n-]n3)c2=O)CCC1 ZINC001590142141 982899291 /nfs/dbraw/zinc/89/92/91/982899291.db2.gz UZDDQKWAVYAZGZ-UHFFFAOYSA-N -1 1 245.286 1.219 20 0 BDADMM CC[C@H](C)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590409103 982930740 /nfs/dbraw/zinc/93/07/40/982930740.db2.gz KJFDGHLLUWGEER-QMMMGPOBSA-N -1 1 233.275 1.075 20 0 BDADMM CCCCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590606304 982962103 /nfs/dbraw/zinc/96/21/03/982962103.db2.gz YCFQYPMDPJQHJZ-UHFFFAOYSA-N -1 1 233.279 1.177 20 0 BDADMM CCCCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590606304 982962114 /nfs/dbraw/zinc/96/21/14/982962114.db2.gz YCFQYPMDPJQHJZ-UHFFFAOYSA-N -1 1 233.279 1.177 20 0 BDADMM CCCN(c1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001590632615 982965982 /nfs/dbraw/zinc/96/59/82/982965982.db2.gz UQVCIBNCEMYIME-UHFFFAOYSA-N -1 1 245.290 1.036 20 0 BDADMM CCCN(c1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001590632615 982965995 /nfs/dbraw/zinc/96/59/95/982965995.db2.gz UQVCIBNCEMYIME-UHFFFAOYSA-N -1 1 245.290 1.036 20 0 BDADMM O=C([O-])c1cncc(-c2cncc3nc[nH]c32)c1 ZINC001241801729 983057784 /nfs/dbraw/zinc/05/77/84/983057784.db2.gz QQIXXPOZFBRTLE-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM CCc1nocc1CN(CCC(=O)[O-])C1CC1 ZINC001353915859 983077392 /nfs/dbraw/zinc/07/73/92/983077392.db2.gz NZTGGXVLHSVXNW-UHFFFAOYSA-N -1 1 238.287 1.676 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCC2)n1 ZINC001591892191 983101812 /nfs/dbraw/zinc/10/18/12/983101812.db2.gz NNYDKOBSNWORRP-UHFFFAOYSA-N -1 1 245.290 1.320 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCC2)n1 ZINC001591892191 983101816 /nfs/dbraw/zinc/10/18/16/983101816.db2.gz NNYDKOBSNWORRP-UHFFFAOYSA-N -1 1 245.290 1.320 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)C2)c1 ZINC001591884957 983102362 /nfs/dbraw/zinc/10/23/62/983102362.db2.gz IGSVKECPIIYMMR-MRVPVSSYSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)C2)c1 ZINC001591884957 983102369 /nfs/dbraw/zinc/10/23/69/983102369.db2.gz IGSVKECPIIYMMR-MRVPVSSYSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1ccc(N(C)C2CCC2)nc1-c1nnn[n-]1 ZINC001592175304 983115961 /nfs/dbraw/zinc/11/59/61/983115961.db2.gz JPHBQODOIMAUNY-UHFFFAOYSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1ccc(N(C)C2CCC2)nc1-c1nn[n-]n1 ZINC001592175304 983115963 /nfs/dbraw/zinc/11/59/63/983115963.db2.gz JPHBQODOIMAUNY-UHFFFAOYSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC1CC1 ZINC001592109908 983115985 /nfs/dbraw/zinc/11/59/85/983115985.db2.gz HVQFZBVCEWBSLN-UHFFFAOYSA-N -1 1 244.302 1.416 20 0 BDADMM Fc1ccc(OCC2CCC2)c(-c2nnn[n-]2)n1 ZINC001592651941 983190812 /nfs/dbraw/zinc/19/08/12/983190812.db2.gz HFYZAGHGYAGZIV-UHFFFAOYSA-N -1 1 249.249 1.580 20 0 BDADMM Fc1ccc(OCC2CCC2)c(-c2nn[n-]n2)n1 ZINC001592651941 983190816 /nfs/dbraw/zinc/19/08/16/983190816.db2.gz HFYZAGHGYAGZIV-UHFFFAOYSA-N -1 1 249.249 1.580 20 0 BDADMM CNC(=S)Nc1cc([O-])c(F)cc1F ZINC001200608304 983224256 /nfs/dbraw/zinc/22/42/56/983224256.db2.gz IRDCSGSVNSBLJJ-UHFFFAOYSA-N -1 1 218.228 1.587 20 0 BDADMM O=C(OCCF)c1ccsc1-c1nnn[n-]1 ZINC001593289026 983253494 /nfs/dbraw/zinc/25/34/94/983253494.db2.gz DXLZVCRVVDTFEF-UHFFFAOYSA-N -1 1 242.235 1.055 20 0 BDADMM O=C(OCCF)c1ccsc1-c1nn[n-]n1 ZINC001593289026 983253503 /nfs/dbraw/zinc/25/35/03/983253503.db2.gz DXLZVCRVVDTFEF-UHFFFAOYSA-N -1 1 242.235 1.055 20 0 BDADMM Cc1cc2c(c(C3=CCOCC3)n1)C(=O)[N-]C2=O ZINC001242074096 983312680 /nfs/dbraw/zinc/31/26/80/983312680.db2.gz GWWJCBZTTGLENR-UHFFFAOYSA-N -1 1 244.250 1.077 20 0 BDADMM C/C(=C/C(=O)NC1(c2nn[n-]n2)CCC1)C1CC1 ZINC001593856835 983382267 /nfs/dbraw/zinc/38/22/67/983382267.db2.gz NFYFEEZXQXHIBZ-FPLPWBNLSA-N -1 1 247.302 1.051 20 0 BDADMM O=C(CCCC1CC1)NC1(c2nn[n-]n2)CCC1 ZINC001593863459 983385121 /nfs/dbraw/zinc/38/51/21/983385121.db2.gz 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1.632 20 0 BDADMM [O-]c1cc(-c2ncc3nc[nH]c3n2)ccc1F ZINC001243047140 984391872 /nfs/dbraw/zinc/39/18/72/984391872.db2.gz BXHNROCDZBKIMY-UHFFFAOYSA-N -1 1 230.202 1.816 20 0 BDADMM O=C(NCc1cccs1)c1cnncc1[O-] ZINC001440479298 984418261 /nfs/dbraw/zinc/41/82/61/984418261.db2.gz GYODIFCNNFTTTF-UHFFFAOYSA-N -1 1 235.268 1.174 20 0 BDADMM [O-]c1cc(-c2nccn3ncnc23)ccc1F ZINC001243063070 984454142 /nfs/dbraw/zinc/45/41/42/984454142.db2.gz SMHYEIVRBWQKFD-UHFFFAOYSA-N -1 1 230.202 1.636 20 0 BDADMM COCCCCNC(=O)c1cccc([O-])c1F ZINC001441496614 984482767 /nfs/dbraw/zinc/48/27/67/984482767.db2.gz NZWRFPHDBQRADA-UHFFFAOYSA-N -1 1 241.262 1.688 20 0 BDADMM CCN(CC1CC1)C(=O)c1ccc([O-])cn1 ZINC001443765276 984541798 /nfs/dbraw/zinc/54/17/98/984541798.db2.gz XIIKCLRUWYSECK-UHFFFAOYSA-N -1 1 220.272 1.659 20 0 BDADMM CC1(C)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001444458356 984557390 /nfs/dbraw/zinc/55/73/90/984557390.db2.gz ZNAHOYRPOAZJDS-UHFFFAOYSA-N -1 1 233.267 1.586 20 0 BDADMM CCN1CC[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC001448005704 984803380 /nfs/dbraw/zinc/80/33/80/984803380.db2.gz QCVTYFNWMISRTK-SSDOTTSWSA-N -1 1 240.225 1.081 20 0 BDADMM C[C@H]1OCCN(C(=O)c2ccc([O-])cn2)[C@@H]1C ZINC001546002418 984804208 /nfs/dbraw/zinc/80/42/08/984804208.db2.gz KOQCDRWTVIODHA-RKDXNWHRSA-N -1 1 236.271 1.037 20 0 BDADMM C/C(=C/CN[C@@H](C)c1ccn(C)n1)C(=O)[O-] ZINC001588982263 984878107 /nfs/dbraw/zinc/87/81/07/984878107.db2.gz RKRCSNRZUHZEHU-OTOXVQDCSA-N -1 1 223.276 1.102 20 0 BDADMM O=c1[n-]c2nc(=O)[nH]c(NC3CCCC3)c2[nH]1 ZINC001257345340 984911529 /nfs/dbraw/zinc/91/15/29/984911529.db2.gz QNPFJOHGKJQQDC-UHFFFAOYSA-N -1 1 235.247 1.070 20 0 BDADMM COC(=O)CC(=O)Nc1c([O-])cccc1F ZINC001453018860 984977935 /nfs/dbraw/zinc/97/79/35/984977935.db2.gz UGEORVGFCHQQEE-UHFFFAOYSA-N -1 1 227.191 1.033 20 0 BDADMM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1F ZINC001453884589 985009809 /nfs/dbraw/zinc/00/98/09/985009809.db2.gz YLPBJKKQHNJDAP-SKDRFNHKSA-N -1 1 239.246 1.439 20 0 BDADMM CNC(=O)c1cnc(-c2cccc([O-])c2F)nc1 ZINC001243542107 985065859 /nfs/dbraw/zinc/06/58/59/985065859.db2.gz HAHGRECEPJZIAE-UHFFFAOYSA-N -1 1 247.229 1.348 20 0 BDADMM COc1nscc1[N-]C(=O)c1nccs1 ZINC001455354663 985068072 /nfs/dbraw/zinc/06/80/72/985068072.db2.gz IYCAUFMAUQCXMZ-UHFFFAOYSA-N -1 1 241.297 1.861 20 0 BDADMM COC(=O)c1cnc(-c2cccc([O-])c2F)nc1 ZINC001243543958 985077306 /nfs/dbraw/zinc/07/73/06/985077306.db2.gz SQHVZSLSTHNRJN-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM C[C@@H]1C[C@@H](C[N-]C(=O)C(F)(F)F)[C@H](C)O1 ZINC000686385542 985112565 /nfs/dbraw/zinc/11/25/65/985112565.db2.gz QBDHSKDADMQUGJ-VQVTYTSYSA-N -1 1 225.210 1.478 20 0 BDADMM Cc1nocc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001243674588 985169002 /nfs/dbraw/zinc/16/90/02/985169002.db2.gz RYOOWKYUVAWRKM-UHFFFAOYSA-N -1 1 243.222 1.237 20 0 BDADMM COC1CCC(C(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001457820953 985236488 /nfs/dbraw/zinc/23/64/88/985236488.db2.gz HIWJXLOTXAJLAU-UHFFFAOYSA-N -1 1 239.275 1.259 20 0 BDADMM CNc1cccc(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC001578764611 985332914 /nfs/dbraw/zinc/33/29/14/985332914.db2.gz OJHPQZNILISTBI-UHFFFAOYSA-N -1 1 246.270 1.718 20 0 BDADMM O=C(NC[C@H]1CCOC1)c1cccc([O-])c1F ZINC001464141702 986612194 /nfs/dbraw/zinc/61/21/94/986612194.db2.gz PBSZIUVRRYPVKN-MRVPVSSYSA-N -1 1 239.246 1.298 20 0 BDADMM Cc1cnc(CC[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000689461553 986615225 /nfs/dbraw/zinc/61/52/25/986615225.db2.gz CVYRSOTWSMJETQ-UHFFFAOYSA-N -1 1 246.232 1.919 20 0 BDADMM CSCCCNC(=O)c1ccc([O-])cn1 ZINC001465258194 986699088 /nfs/dbraw/zinc/69/90/88/986699088.db2.gz UYMFKXKAPYUWRT-UHFFFAOYSA-N -1 1 226.301 1.270 20 0 BDADMM O=C(NC1(C2CC2)CC1)c1ccc([O-])cn1 ZINC001465765570 986739901 /nfs/dbraw/zinc/73/99/01/986739901.db2.gz TXKKILJKJLXFNY-UHFFFAOYSA-N -1 1 218.256 1.460 20 0 BDADMM CCC[C@H](O)CNC(=O)c1cccc([O-])c1F ZINC001465858236 986745513 /nfs/dbraw/zinc/74/55/13/986745513.db2.gz OPOAPSYAWGHFHG-QMMMGPOBSA-N -1 1 241.262 1.422 20 0 BDADMM O=C(Cc1cnc[nH]1)NCc1ccc(O)c(F)c1 ZINC001465954207 986755319 /nfs/dbraw/zinc/75/53/19/986755319.db2.gz FYGAQBHHNXPUOD-UHFFFAOYSA-N -1 1 249.245 1.113 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1CO ZINC001467240058 986837241 /nfs/dbraw/zinc/83/72/41/986837241.db2.gz WYQACLRKGQMRNV-MRVPVSSYSA-N -1 1 239.246 1.128 20 0 BDADMM Nc1ccc(F)cc1NC(=O)c1cnncc1[O-] ZINC001580447904 986856366 /nfs/dbraw/zinc/85/63/66/986856366.db2.gz PFAXJTIYOPKMSZ-UHFFFAOYSA-N -1 1 248.217 1.156 20 0 BDADMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc([O-])cn1 ZINC001470133220 987019464 /nfs/dbraw/zinc/01/94/64/987019464.db2.gz WBALFWRIEZXOPE-ISVAXAHUSA-N -1 1 248.282 1.085 20 0 BDADMM C[C@H]1CCN1C(=O)c1cccc([O-])c1F ZINC001471723094 987115926 /nfs/dbraw/zinc/11/59/26/987115926.db2.gz MCHOADWDVLQRMQ-ZETCQYMHSA-N -1 1 209.220 1.766 20 0 BDADMM CNC(=S)n1[n-]c(CC(C)(C)C)cc1=O ZINC001245932294 987192216 /nfs/dbraw/zinc/19/22/16/987192216.db2.gz LOADJDVZUHFWIQ-UHFFFAOYSA-N -1 1 227.333 1.530 20 0 BDADMM CCc1cc(CNc2nccnc2C(=O)[O-])n[nH]1 ZINC001597478145 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/nfs/dbraw/zinc/61/89/21/584618921.db2.gz UVLCEDWMNISPNA-PWSUYJOCSA-N -1 1 239.271 1.635 20 0 BDADMM COC[C@@H]1CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903690042 584788948 /nfs/dbraw/zinc/78/89/48/584788948.db2.gz RODQVJOQEGMMRX-QMMMGPOBSA-N -1 1 241.312 1.667 20 0 BDADMM Cc1coc(CNC2(C(=O)[O-])CCOCC2)c1 ZINC000904009956 584837752 /nfs/dbraw/zinc/83/77/52/584837752.db2.gz LXKQOPFIVGKJBL-UHFFFAOYSA-N -1 1 239.271 1.311 20 0 BDADMM O=C([O-])N1CC[C@@H](NCc2ccc(F)cn2)C1 ZINC000831958895 584910849 /nfs/dbraw/zinc/91/08/49/584910849.db2.gz UYIIGOUUFFPGQO-SNVBAGLBSA-N -1 1 239.250 1.063 20 0 BDADMM O=C(CC1=CCCCC1)OCc1nn[n-]n1 ZINC000737815349 585038241 /nfs/dbraw/zinc/03/82/41/585038241.db2.gz ULJPSIQWIPKOTA-UHFFFAOYSA-N -1 1 222.248 1.133 20 0 BDADMM CN(C(=O)[O-])C1CCN(C/C=C\Cl)CC1 ZINC000737939555 585039672 /nfs/dbraw/zinc/03/96/72/585039672.db2.gz OROMKWAMJFYMMH-DJWKRKHSSA-N -1 1 232.711 1.813 20 0 BDADMM O=C(Nc1c([O-])cccc1F)c1ncccn1 ZINC000743416663 585136424 /nfs/dbraw/zinc/13/64/24/585136424.db2.gz RLCNNLVDORPARL-UHFFFAOYSA-N -1 1 233.202 1.574 20 0 BDADMM O=C(Nc1ccncc1[O-])c1cccc(Cl)n1 ZINC000748313067 585190659 /nfs/dbraw/zinc/19/06/59/585190659.db2.gz VFFIWYHZAJPPJS-UHFFFAOYSA-N -1 1 249.657 1.510 20 0 BDADMM C[C@]1(C[N-]C(=O)C(F)(F)F)CCCC[C@@H]1O ZINC000748581802 585194305 /nfs/dbraw/zinc/19/43/05/585194305.db2.gz OUBAEUHZNAGWEI-IONNQARKSA-N -1 1 239.237 1.606 20 0 BDADMM COCCO[N-]C(=O)[C@H](C)c1ccsc1 ZINC000748768155 585195295 /nfs/dbraw/zinc/19/52/95/585195295.db2.gz NJKHJOIXGXMXEO-MRVPVSSYSA-N -1 1 229.301 1.546 20 0 BDADMM Cc1[nH]nc(C(=O)N2CCc3ncccc32)c1[O-] ZINC000749259417 585200956 /nfs/dbraw/zinc/20/09/56/585200956.db2.gz WQPBGIMIHYEMOK-UHFFFAOYSA-N -1 1 244.254 1.022 20 0 BDADMM O=C(CCOCC1CC1)[N-]O[C@@H]1CCCCO1 ZINC000751366580 585227744 /nfs/dbraw/zinc/22/77/44/585227744.db2.gz LCVVKOAETLXGPL-GFCCVEGCSA-N -1 1 243.303 1.378 20 0 BDADMM O=C([N-]CC1(CCO)CCCC1)C(F)(F)F ZINC000761595770 585417706 /nfs/dbraw/zinc/41/77/06/585417706.db2.gz NJSLPXQGZAJSSZ-UHFFFAOYSA-N -1 1 239.237 1.608 20 0 BDADMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCSC1 ZINC000762184798 585428704 /nfs/dbraw/zinc/42/87/04/585428704.db2.gz KTUDPDQBVSOQFL-IUCAKERBSA-N -1 1 231.317 1.314 20 0 BDADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCSC1 ZINC000762184795 585428734 /nfs/dbraw/zinc/42/87/34/585428734.db2.gz KTUDPDQBVSOQFL-BDAKNGLRSA-N -1 1 231.317 1.314 20 0 BDADMM CCCCCCNC(=O)CN(C)CCC(=O)[O-] ZINC000769753675 585562748 /nfs/dbraw/zinc/56/27/48/585562748.db2.gz CAGYEBKBVDVJFT-UHFFFAOYSA-N -1 1 244.335 1.089 20 0 BDADMM CC(C)(C)[C@@H](O)C(=O)Nc1c([O-])cccc1F ZINC000770861480 585583297 /nfs/dbraw/zinc/58/32/97/585583297.db2.gz JEZZIKADCJXZKN-JTQLQIEISA-N -1 1 241.262 1.877 20 0 BDADMM CC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773575263 585640694 /nfs/dbraw/zinc/64/06/94/585640694.db2.gz XCJJAFNDYKVDEH-UHFFFAOYSA-N -1 1 212.176 1.277 20 0 BDADMM CC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773586733 585640698 /nfs/dbraw/zinc/64/06/98/585640698.db2.gz WPDCHNKSJWJGSY-ZETCQYMHSA-N -1 1 226.203 1.666 20 0 BDADMM O=C([N-]OC1CCCCC1)[C@@H]1CCOC1 ZINC000777960020 585724362 /nfs/dbraw/zinc/72/43/62/585724362.db2.gz MXQGDUZWYVMUBY-SECBINFHSA-N -1 1 213.277 1.403 20 0 BDADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccccc1 ZINC000805604853 585731494 /nfs/dbraw/zinc/73/14/94/585731494.db2.gz AYFTUTGMWQPKSV-MRVPVSSYSA-N -1 1 217.228 1.723 20 0 BDADMM Cc1ccccc1OCCOC(=O)c1cn[n-]n1 ZINC000805604905 585731677 /nfs/dbraw/zinc/73/16/77/585731677.db2.gz CFUNWQCMVYITIO-UHFFFAOYSA-N -1 1 247.254 1.349 20 0 BDADMM C[C@H](OC(=O)c1cn[n-]n1)c1ccccc1 ZINC000805604854 585731764 /nfs/dbraw/zinc/73/17/64/585731764.db2.gz AYFTUTGMWQPKSV-QMMMGPOBSA-N -1 1 217.228 1.723 20 0 BDADMM O=C(OCc1ccccc1F)c1cn[n-]n1 ZINC000805605732 585732152 /nfs/dbraw/zinc/73/21/52/585732152.db2.gz NMVPBNNKMDLJDJ-UHFFFAOYSA-N -1 1 221.191 1.301 20 0 BDADMM Cc1ccc(OCCOC(=O)c2cn[n-]n2)cc1 ZINC000805606630 585733685 /nfs/dbraw/zinc/73/36/85/585733685.db2.gz JKNKERWNOMTCHK-UHFFFAOYSA-N -1 1 247.254 1.349 20 0 BDADMM O=C(OCCCC1CCCC1)c1cn[n-]n1 ZINC000805606917 585734276 /nfs/dbraw/zinc/73/42/76/585734276.db2.gz CXAKJJKAJMDVAT-UHFFFAOYSA-N -1 1 223.276 1.932 20 0 BDADMM COc1cccc([C@@H](C)OC(=O)c2cn[n-]n2)c1 ZINC000805607553 585734926 /nfs/dbraw/zinc/73/49/26/585734926.db2.gz XPCVXWVTNULMSM-MRVPVSSYSA-N -1 1 247.254 1.731 20 0 BDADMM O=C([N-]OC1CCCCC1)[C@@H]1CCCOC1 ZINC000779321828 585750932 /nfs/dbraw/zinc/75/09/32/585750932.db2.gz FHYLOALVVRDLMF-SNVBAGLBSA-N -1 1 227.304 1.794 20 0 BDADMM O=C(CCc1nc[nH]n1)NOC1CCCCC1 ZINC000779318359 585751121 /nfs/dbraw/zinc/75/11/21/585751121.db2.gz YPLCKCJOSFOXLY-UHFFFAOYSA-N -1 1 238.291 1.118 20 0 BDADMM CCc1ccc(C(=O)N(C)c2cn[nH]c2)c([O-])c1 ZINC000787103477 585901455 /nfs/dbraw/zinc/90/14/55/585901455.db2.gz DAFPITWDYHEPOA-UHFFFAOYSA-N -1 1 245.282 1.954 20 0 BDADMM C[C@H](O)COC(=O)c1c([O-])cc(F)cc1F ZINC000791798841 585988143 /nfs/dbraw/zinc/98/81/43/585988143.db2.gz WZNVDDAUFJOYHY-YFKPBYRVSA-N -1 1 232.182 1.208 20 0 BDADMM COCCO[N-]C(=O)Cc1ccc(Cl)s1 ZINC000801098255 586241774 /nfs/dbraw/zinc/24/17/74/586241774.db2.gz NFJUJXGGQAXRPC-UHFFFAOYSA-N -1 1 249.719 1.638 20 0 BDADMM O=C(OCc1cn[nH]c1)c1ccc([O-])cc1F ZINC000803417522 586353348 /nfs/dbraw/zinc/35/33/48/586353348.db2.gz JQAAZCGLDOZDEA-UHFFFAOYSA-N -1 1 236.202 1.611 20 0 BDADMM Cc1cnc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000804290234 586387344 /nfs/dbraw/zinc/38/73/44/586387344.db2.gz FHHHNPPBHKOHAE-VHSXEESVSA-N -1 1 232.283 1.720 20 0 BDADMM O=C([N-]c1cccc2nonc21)c1cnns1 ZINC000808800279 586490712 /nfs/dbraw/zinc/49/07/12/586490712.db2.gz YGHWLTYAJJMBQL-UHFFFAOYSA-N -1 1 247.239 1.327 20 0 BDADMM COc1ccc(C(=O)NOC2CCC2)c([O-])c1 ZINC000812796343 586586152 /nfs/dbraw/zinc/58/61/52/586586152.db2.gz YHQCXCLTMRUIPZ-UHFFFAOYSA-N -1 1 237.255 1.615 20 0 BDADMM O=C(CCc1cncnc1)[N-]OCC(F)(F)F ZINC000815829527 586694669 /nfs/dbraw/zinc/69/46/69/586694669.db2.gz XGEYEMMNLKOHAK-UHFFFAOYSA-N -1 1 249.192 1.019 20 0 BDADMM O=C([N-][C@@H]1C[C@H]1C1CCC1)C(F)(F)F ZINC000819629485 586983589 /nfs/dbraw/zinc/98/35/89/586983589.db2.gz RDYCRBVYBODNMD-NKWVEPMBSA-N -1 1 207.195 1.854 20 0 BDADMM CC(C)[C@H](F)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819780602 586993892 /nfs/dbraw/zinc/99/38/92/586993892.db2.gz GSAWIFISPKRGDE-RQJHMYQMSA-N -1 1 218.297 1.588 20 0 BDADMM C[C@H](CC(=O)[O-])Nc1cnn(-c2ccncc2)c1 ZINC000820088796 587020770 /nfs/dbraw/zinc/02/07/70/587020770.db2.gz GLPIKCLHKRPLSP-SECBINFHSA-N -1 1 246.270 1.542 20 0 BDADMM Cc1ncoc1CNC(=O)c1ncccc1[O-] ZINC000820224667 587036716 /nfs/dbraw/zinc/03/67/16/587036716.db2.gz PTVCKPPWWYKLOB-UHFFFAOYSA-N -1 1 233.227 1.014 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)CCC1(C)CC1 ZINC000820407121 587046728 /nfs/dbraw/zinc/04/67/28/587046728.db2.gz BPFUTSCTAQVGSU-UHFFFAOYSA-N -1 1 223.276 1.943 20 0 BDADMM CN(Cc1nnc[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC000820602256 587058241 /nfs/dbraw/zinc/05/82/41/587058241.db2.gz SBBANZYYJNNGKC-UHFFFAOYSA-N -1 1 246.270 1.135 20 0 BDADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC000820727809 587068602 /nfs/dbraw/zinc/06/86/02/587068602.db2.gz PIHDTANRDGPHKE-IUCAKERBSA-N -1 1 244.302 1.496 20 0 BDADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC000820727809 587068605 /nfs/dbraw/zinc/06/86/05/587068605.db2.gz PIHDTANRDGPHKE-IUCAKERBSA-N -1 1 244.302 1.496 20 0 BDADMM COc1ccsc1CN1CCC[C@@H]1C(=O)[O-] ZINC000820881666 587079609 /nfs/dbraw/zinc/07/96/09/587079609.db2.gz MNEGWJWNHDNKGX-MRVPVSSYSA-N -1 1 241.312 1.806 20 0 BDADMM Cc1cc([C@H]2CCCN2CCCC(=O)[O-])no1 ZINC000820972245 587085734 /nfs/dbraw/zinc/08/57/34/587085734.db2.gz FRBGQWIRVDMHBJ-LLVKDONJSA-N -1 1 238.287 1.985 20 0 BDADMM CCc1c[nH]c(CC(=O)[N-]OC[C@H](C)CC)n1 ZINC000823101723 587202985 /nfs/dbraw/zinc/20/29/85/587202985.db2.gz URBPIBWLZJREEM-SECBINFHSA-N -1 1 239.319 1.609 20 0 BDADMM Cn1cnc([N-]C(=O)c2coc(C(C)(C)C)n2)n1 ZINC000823135076 587204810 /nfs/dbraw/zinc/20/48/10/587204810.db2.gz NAZLXPIGCRYEJA-UHFFFAOYSA-N -1 1 249.274 1.353 20 0 BDADMM c1cc(NCCC2CCC2)nc(-c2nnn[n-]2)c1 ZINC000823756997 587239927 /nfs/dbraw/zinc/23/99/27/587239927.db2.gz IXOMYBCEPNDIFQ-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM c1cc(NCCC2CCC2)nc(-c2nn[n-]n2)c1 ZINC000823756997 587239928 /nfs/dbraw/zinc/23/99/28/587239928.db2.gz IXOMYBCEPNDIFQ-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM CC(C)(CNCc1cscn1)NC(=O)[O-] ZINC000824011437 587248029 /nfs/dbraw/zinc/24/80/29/587248029.db2.gz MZKNXMQKXGFEQO-UHFFFAOYSA-N -1 1 229.305 1.279 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1cccc(-c2nnn[n-]2)n1 ZINC000824907711 587293235 /nfs/dbraw/zinc/29/32/35/587293235.db2.gz JMYXCEURDUKYPT-RKDXNWHRSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1cccc(-c2nn[n-]n2)n1 ZINC000824907711 587293237 /nfs/dbraw/zinc/29/32/37/587293237.db2.gz JMYXCEURDUKYPT-RKDXNWHRSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H](c1ccccn1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000825645448 587329161 /nfs/dbraw/zinc/32/91/61/587329161.db2.gz OPNDLSBSRZYUNI-VHSXEESVSA-N -1 1 235.287 1.485 20 0 BDADMM O=C([N-]c1nc(C2CC2)no1)c1ccsn1 ZINC000825882605 587344021 /nfs/dbraw/zinc/34/40/21/587344021.db2.gz LYWPBCFWOFYZSK-UHFFFAOYSA-N -1 1 236.256 1.656 20 0 BDADMM Clc1nsc(N2CCC2)c1-c1nnn[n-]1 ZINC000826354272 587352051 /nfs/dbraw/zinc/35/20/51/587352051.db2.gz WCHLJQKLMNJULI-UHFFFAOYSA-N -1 1 242.695 1.187 20 0 BDADMM Clc1nsc(N2CCC2)c1-c1nn[n-]n1 ZINC000826354272 587352052 /nfs/dbraw/zinc/35/20/52/587352052.db2.gz WCHLJQKLMNJULI-UHFFFAOYSA-N -1 1 242.695 1.187 20 0 BDADMM CCCC[C@@H](CNC(=O)[O-])NCc1cc[nH]n1 ZINC000826814781 587363134 /nfs/dbraw/zinc/36/31/34/587363134.db2.gz NMUZIUISKJYQJI-VIFPVBQESA-N -1 1 240.307 1.326 20 0 BDADMM CC[C@](C)(CC(=O)[O-])NCc1nnc(C)o1 ZINC000828671990 587456669 /nfs/dbraw/zinc/45/66/69/587456669.db2.gz JVMMRLGUBXVDPS-SNVBAGLBSA-N -1 1 227.264 1.111 20 0 BDADMM CCCC[C@@H](C(=O)OC)N(C)C[C@@H](C)C(=O)[O-] ZINC000829287110 587491358 /nfs/dbraw/zinc/49/13/58/587491358.db2.gz YDFLQCSUJNTQQE-ZJUUUORDSA-N -1 1 245.319 1.371 20 0 BDADMM 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/nfs/dbraw/zinc/91/58/98/978915898.db2.gz UPKIZQRPXBKZFC-SSDOTTSWSA-N -1 1 238.268 1.709 20 0 BDADMM O=C([O-])c1coc(CN2CCC3(COC3)C2)c1 ZINC001602551777 979129518 /nfs/dbraw/zinc/12/95/18/979129518.db2.gz QEZVFMUKYCNFPF-UHFFFAOYSA-N -1 1 237.255 1.200 20 0 BDADMM O=C([O-])c1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001236057484 979348881 /nfs/dbraw/zinc/34/88/81/979348881.db2.gz ZEKHRVDUHGLBGR-UHFFFAOYSA-N -1 1 241.250 1.445 20 0 BDADMM C[C@@H](NCCC(=O)[O-])c1c(F)cncc1F ZINC001603246817 979415346 /nfs/dbraw/zinc/41/53/46/979415346.db2.gz CZGWNSRHICSJAM-ZCFIWIBFSA-N -1 1 230.214 1.485 20 0 BDADMM CC(C)CC(=O)O[C@H]1CN(C)[C@](C)(C(=O)[O-])C1 ZINC001603764240 979513354 /nfs/dbraw/zinc/51/33/54/979513354.db2.gz OLTSOZDYUJTJCM-SKDRFNHKSA-N -1 1 243.303 1.123 20 0 BDADMM CC[C@@H](CN1CC(O)(C(=O)[O-])C1)c1ccccc1 ZINC001595129701 979536663 /nfs/dbraw/zinc/53/66/63/979536663.db2.gz OZUIYVKPBRXGLE-NSHDSACASA-N -1 1 249.310 1.312 20 0 BDADMM CCC(CC)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604025924 979562284 /nfs/dbraw/zinc/56/22/84/979562284.db2.gz UDSROZMCANLTIR-UHFFFAOYSA-N -1 1 247.302 1.465 20 0 BDADMM CC1(CN2CCc3[nH]nc(C(=O)[O-])c3C2)CC1 ZINC001604574665 979678612 /nfs/dbraw/zinc/67/86/12/979678612.db2.gz CIOCOJWLQADYGP-UHFFFAOYSA-N -1 1 235.287 1.266 20 0 BDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](F)C2)O1 ZINC001604609970 979685109 /nfs/dbraw/zinc/68/51/09/979685109.db2.gz JKMHZYMTYYUBEE-NXEZZACHSA-N -1 1 243.278 1.568 20 0 BDADMM Cc1c[nH]c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001605093479 979812942 /nfs/dbraw/zinc/81/29/42/979812942.db2.gz IKHSIWFQELZRER-SCZZXKLOSA-N -1 1 237.303 1.261 20 0 BDADMM Cc1c[nH]c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001605093479 979812945 /nfs/dbraw/zinc/81/29/45/979812945.db2.gz IKHSIWFQELZRER-SCZZXKLOSA-N -1 1 237.303 1.261 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCc2cccnc21 ZINC001183563015 979845067 /nfs/dbraw/zinc/84/50/67/979845067.db2.gz OGXTZOOPKZSNMA-QMMMGPOBSA-N -1 1 244.254 1.179 20 0 BDADMM Cc1cnc([C@@H](C)N(C)CCCC(=O)[O-])o1 ZINC001605368446 979861330 /nfs/dbraw/zinc/86/13/30/979861330.db2.gz BYIIYHDWUUQTLY-SECBINFHSA-N -1 1 226.276 1.841 20 0 BDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CC[C@@H]1C ZINC001605804318 979917310 /nfs/dbraw/zinc/91/73/10/979917310.db2.gz JBVOHDSUCLKXFU-CBAPKCEASA-N -1 1 244.302 1.781 20 0 BDADMM CCc1ncc(CNc2ncc(C(=O)[O-])cn2)[nH]1 ZINC001605853196 979920728 /nfs/dbraw/zinc/92/07/28/979920728.db2.gz TZZDPGCGGFYOMG-UHFFFAOYSA-N -1 1 247.258 1.072 20 0 BDADMM O=C([O-])CCN[C@H]1c2ccccc2OC[C@@H]1F ZINC001606201310 979970900 /nfs/dbraw/zinc/97/09/00/979970900.db2.gz GPXLVQKZMLDISG-CABZTGNLSA-N -1 1 239.246 1.523 20 0 BDADMM COCc1nc(N[C@@H]2CC[C@H]2C)cc(=O)[n-]1 ZINC001343037294 979988908 /nfs/dbraw/zinc/98/89/08/979988908.db2.gz AXSOFXPLBRDPIW-HTQZYQBOSA-N -1 1 223.276 1.539 20 0 BDADMM F[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001606300744 979991223 /nfs/dbraw/zinc/99/12/23/979991223.db2.gz XGLACYGQYWORPV-QMMMGPOBSA-N -1 1 248.265 1.200 20 0 BDADMM F[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001606300744 979991227 /nfs/dbraw/zinc/99/12/27/979991227.db2.gz XGLACYGQYWORPV-QMMMGPOBSA-N -1 1 248.265 1.200 20 0 BDADMM CNCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001606298678 979993301 /nfs/dbraw/zinc/99/33/01/979993301.db2.gz CFGCINRZSUGVSH-UHFFFAOYSA-N -1 1 233.227 1.154 20 0 BDADMM COC[C@@H](C)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001606937387 980068210 /nfs/dbraw/zinc/06/82/10/980068210.db2.gz UPBYROSSAICROM-VXNVDRBHSA-N -1 1 229.301 1.498 20 0 BDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CC12CCC2 ZINC001607138138 980085686 /nfs/dbraw/zinc/08/56/86/980085686.db2.gz BJDWGVJZQIJXJA-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CC12CCC2 ZINC001607138138 980085693 /nfs/dbraw/zinc/08/56/93/980085693.db2.gz BJDWGVJZQIJXJA-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM COc1ccc(CN[C@@H](C(=O)[O-])C2CC2)o1 ZINC001607259293 980092992 /nfs/dbraw/zinc/09/29/92/980092992.db2.gz NUVYNEWAEQACLS-SNVBAGLBSA-N -1 1 225.244 1.241 20 0 BDADMM Cc1ccc(CN2CC=C[C@@H]2CO)cc1C(=O)[O-] ZINC001607779807 980128327 /nfs/dbraw/zinc/12/83/27/980128327.db2.gz MLUVLLXXGCSCLZ-GFCCVEGCSA-N -1 1 247.294 1.426 20 0 BDADMM O=C([O-])[C@@H](CF)NCc1ccc(Cl)c(F)c1 ZINC001608533433 980226460 /nfs/dbraw/zinc/22/64/60/980226460.db2.gz LNFLPVRWOIFTLN-SECBINFHSA-N -1 1 249.644 1.991 20 0 BDADMM O=C([O-])Cc1c[nH]n(CCc2ccccc2)c1=O ZINC001608690363 980265603 /nfs/dbraw/zinc/26/56/03/980265603.db2.gz JNQXNTOUHAPHMV-LLVKDONJSA-N -1 1 246.266 1.148 20 0 BDADMM Cc1oc(C)c(C(=O)OCc2nn[n-]n2)c1C ZINC001343953209 980290425 /nfs/dbraw/zinc/29/04/25/980290425.db2.gz GROCYAUDXFVZJO-UHFFFAOYSA-N -1 1 236.231 1.075 20 0 BDADMM O=C(c1cccc([S-])c1)N1CC[N@H+]2CC[C@H]2C1 ZINC001186153099 980341614 /nfs/dbraw/zinc/34/16/14/980341614.db2.gz UKTPPVXRZFLJFL-NSHDSACASA-N -1 1 248.351 1.505 20 0 BDADMM O=C(c1cccc([S-])c1)N1CCN2CC[C@H]2C1 ZINC001186153099 980341619 /nfs/dbraw/zinc/34/16/19/980341619.db2.gz UKTPPVXRZFLJFL-NSHDSACASA-N -1 1 248.351 1.505 20 0 BDADMM O=C(N[C@@H]1C[C@H]1F)c1ccc([O-])c(F)c1 ZINC001186237154 980350688 /nfs/dbraw/zinc/35/06/88/980350688.db2.gz QTLCPECQVIJACN-HTRCEHHLSA-N -1 1 213.183 1.372 20 0 BDADMM Cc1cncnc1NC(=O)c1ccc([O-])cc1F ZINC001186319757 980357648 /nfs/dbraw/zinc/35/76/48/980357648.db2.gz ZXGHTOYQZYJREL-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM CCCCC[N-]S(=O)(=O)c1nccs1 ZINC001187847116 980559930 /nfs/dbraw/zinc/55/99/30/980559930.db2.gz YVQUOQIRTDRAQM-UHFFFAOYSA-N -1 1 234.346 1.612 20 0 BDADMM C[C@H]([N-]S(=O)(=O)c1nccs1)C1CC1 ZINC001187902794 980566046 /nfs/dbraw/zinc/56/60/46/980566046.db2.gz WFVXLYOWIZGGJF-LURJTMIESA-N -1 1 232.330 1.220 20 0 BDADMM CCc1cccc([N-]S(=O)(=O)CC2CC2)n1 ZINC001188937189 980724422 /nfs/dbraw/zinc/72/44/22/980724422.db2.gz LAGZQAHJXGDZKU-UHFFFAOYSA-N -1 1 240.328 1.796 20 0 BDADMM CCc1cccc(CC(=O)OCc2nn[n-]n2)c1 ZINC001346449742 980839968 /nfs/dbraw/zinc/83/99/68/980839968.db2.gz JVDMGCUXJNWXKS-UHFFFAOYSA-N -1 1 246.270 1.048 20 0 BDADMM CCCCC[C@H](CC)C(=O)OCc1nn[n-]n1 ZINC001346451581 980840563 /nfs/dbraw/zinc/84/05/63/980840563.db2.gz WLRCFQMHVOMBHD-VIFPVBQESA-N -1 1 240.307 1.849 20 0 BDADMM Cc1nc2c(cccc2[N-]C(=O)c2ncon2)o1 ZINC001192025406 981119433 /nfs/dbraw/zinc/11/94/33/981119433.db2.gz VIAVKXMFTOIYSI-UHFFFAOYSA-N -1 1 244.210 1.772 20 0 BDADMM CN(C(=O)c1c(F)ccc([O-])c1F)C1COC1 ZINC001192536130 981171305 /nfs/dbraw/zinc/17/13/05/981171305.db2.gz RGNAGDFORUFWSF-UHFFFAOYSA-N -1 1 243.209 1.141 20 0 BDADMM COc1ccnc(C(=O)Nc2ccc[nH]2)c1[O-] ZINC001193524568 981371222 /nfs/dbraw/zinc/37/12/22/981371222.db2.gz FKSPBDWJNUQYLG-UHFFFAOYSA-N -1 1 233.227 1.376 20 0 BDADMM CC[C@@H]1CCCC[C@H]1C(=O)OCc1nn[n-]n1 ZINC001348850849 981456298 /nfs/dbraw/zinc/45/62/98/981456298.db2.gz UWPYUSVOGITXAO-RKDXNWHRSA-N -1 1 238.291 1.459 20 0 BDADMM O=C(OCc1nn[n-]n1)c1cc2c(o1)CCCC2 ZINC001348976584 981490705 /nfs/dbraw/zinc/49/07/05/981490705.db2.gz PFUQXSKDAUKUPS-UHFFFAOYSA-N -1 1 248.242 1.029 20 0 BDADMM CN(Cc1c[nH]cn1)C(=O)c1ccc(F)c([O-])c1 ZINC001584326931 981865275 /nfs/dbraw/zinc/86/52/75/981865275.db2.gz NAVFVCMWULEKLE-UHFFFAOYSA-N -1 1 249.245 1.527 20 0 BDADMM COc1cc(NC(=O)c2ccc(O)cc2[O-])[nH]n1 ZINC001584681042 981881510 /nfs/dbraw/zinc/88/15/10/981881510.db2.gz VLFJEIPHQUGCME-UHFFFAOYSA-N -1 1 249.226 1.082 20 0 BDADMM O=C(Nc1ncccc1[O-])OCCF ZINC001194935768 981977830 /nfs/dbraw/zinc/97/78/30/981977830.db2.gz QZUBUEXBVGCNQP-UHFFFAOYSA-N -1 1 200.169 1.305 20 0 BDADMM O=C(Nc1cccc(O)c1)c1cnncc1[O-] ZINC001586981401 982037838 /nfs/dbraw/zinc/03/78/38/982037838.db2.gz UKJUBEXWAMUYSO-UHFFFAOYSA-N -1 1 231.211 1.140 20 0 BDADMM CC(C)c1cc([N-]C(=O)c2csnn2)no1 ZINC001587047240 982041825 /nfs/dbraw/zinc/04/18/25/982041825.db2.gz RFBJQNPSKQVRMP-UHFFFAOYSA-N -1 1 238.272 1.902 20 0 BDADMM CC[C@](C)(NCc1nn(C)cc1Cl)C(=O)[O-] ZINC001594853455 982112095 /nfs/dbraw/zinc/11/20/95/982112095.db2.gz WZQJQGKUMZPRNP-JTQLQIEISA-N -1 1 245.710 1.416 20 0 BDADMM C1=C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001588387811 982158108 /nfs/dbraw/zinc/15/81/08/982158108.db2.gz GZQJJNGFKQHMMM-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM C1=C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001588387811 982158112 /nfs/dbraw/zinc/15/81/12/982158112.db2.gz GZQJJNGFKQHMMM-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM C1=C[C@@H](CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001588388418 982167665 /nfs/dbraw/zinc/16/76/65/982167665.db2.gz JXIXJOXKJGOQGS-MRVPVSSYSA-N -1 1 243.274 1.035 20 0 BDADMM [O-]c1cc(F)c(-c2cnc3ncnn3c2)c(F)c1 ZINC001241120970 982242789 /nfs/dbraw/zinc/24/27/89/982242789.db2.gz VTADEFKPJNOHOR-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM CC(=O)Nc1cccc(CN2CC(C(=O)[O-])C2)c1 ZINC001588520069 982292406 /nfs/dbraw/zinc/29/24/06/982292406.db2.gz ATSURPGTNXEGPT-UHFFFAOYSA-N -1 1 248.282 1.161 20 0 BDADMM [O-]c1ccc(F)c(-c2ncc3nc[nH]c3n2)c1F ZINC001241291663 982435704 /nfs/dbraw/zinc/43/57/04/982435704.db2.gz PVOGIWMLJJVUKU-UHFFFAOYSA-N -1 1 248.192 1.955 20 0 BDADMM CC(C)(C)c1nc(CSCCC(=O)[O-])n[nH]1 ZINC001588748115 982448161 /nfs/dbraw/zinc/44/81/61/982448161.db2.gz PYCXDZSZAWIWPN-UHFFFAOYSA-N -1 1 243.332 1.810 20 0 BDADMM O=C([O-])c1cccc(-c2ncc3c(n2)CNC3)c1 ZINC001241357782 982513041 /nfs/dbraw/zinc/51/30/41/982513041.db2.gz ZBIQZFQFQOSCJL-UHFFFAOYSA-N -1 1 241.250 1.445 20 0 BDADMM C[C@@H](CC(=O)[O-])[NH2+]Cc1cccc([O-])c1Cl ZINC001589009935 982573798 /nfs/dbraw/zinc/57/37/98/982573798.db2.gz USPVYGHSSOHDGY-ZETCQYMHSA-N -1 1 243.690 1.998 20 0 BDADMM C[C@H](CC(=O)[O-])NCc1nc(Cl)cs1 ZINC001589009273 982575081 /nfs/dbraw/zinc/57/50/81/982575081.db2.gz NVESZRPFDFTWAZ-RXMQYKEDSA-N -1 1 234.708 1.749 20 0 BDADMM C[C@H](N[C@@H](CO)c1c(F)cccc1F)C(=O)[O-] ZINC001352788453 982578347 /nfs/dbraw/zinc/57/83/47/982578347.db2.gz OZUGJTRYMBNZOS-RCOVLWMOSA-N -1 1 245.225 1.061 20 0 BDADMM C[C@H](SCc1n[nH]c(C(C)(C)C)n1)C(=O)[O-] ZINC001589168946 982655045 /nfs/dbraw/zinc/65/50/45/982655045.db2.gz DAZSGYZUIQCRMQ-LURJTMIESA-N -1 1 243.332 1.809 20 0 BDADMM CC(C)=CCCn1cccc(-c2nn[n-]n2)c1=O ZINC001589377470 982746722 /nfs/dbraw/zinc/74/67/22/982746722.db2.gz PSDARUCRRWHTRC-UHFFFAOYSA-N -1 1 245.286 1.385 20 0 BDADMM CC(C)C[C@@H](C)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589549940 982820432 /nfs/dbraw/zinc/82/04/32/982820432.db2.gz MIRNDPSSJNSPOL-MRVPVSSYSA-N -1 1 235.295 1.140 20 0 BDADMM CC(C)N(C(=O)c1cnncc1O)C1CCCC1 ZINC001353565890 982893364 /nfs/dbraw/zinc/89/33/64/982893364.db2.gz VMOCRGQFVVOIGH-UHFFFAOYSA-N -1 1 249.314 1.975 20 0 BDADMM CC(C)N(C(=O)c1cnncc1[O-])C1CCCC1 ZINC001353565890 982893369 /nfs/dbraw/zinc/89/33/69/982893369.db2.gz VMOCRGQFVVOIGH-UHFFFAOYSA-N -1 1 249.314 1.975 20 0 BDADMM CC1(C)CC(n2ccnc2-c2nnn[n-]2)C1 ZINC001590085247 982895130 /nfs/dbraw/zinc/89/51/30/982895130.db2.gz OROKZVLGTAKBFP-UHFFFAOYSA-N -1 1 218.264 1.424 20 0 BDADMM CC1(C)CC(n2ccnc2-c2nn[n-]n2)C1 ZINC001590085247 982895135 /nfs/dbraw/zinc/89/51/35/982895135.db2.gz OROKZVLGTAKBFP-UHFFFAOYSA-N -1 1 218.264 1.424 20 0 BDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001590146961 982896725 /nfs/dbraw/zinc/89/67/25/982896725.db2.gz MYNWVYVZHLCHBE-UHFFFAOYSA-N -1 1 249.299 1.211 20 0 BDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590145963 982899932 /nfs/dbraw/zinc/89/99/32/982899932.db2.gz ZEUPAAYBORTTAV-UHFFFAOYSA-N -1 1 249.299 1.211 20 0 BDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590145963 982899933 /nfs/dbraw/zinc/89/99/33/982899933.db2.gz ZEUPAAYBORTTAV-UHFFFAOYSA-N -1 1 249.299 1.211 20 0 BDADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590240380 982903369 /nfs/dbraw/zinc/90/33/69/982903369.db2.gz SAERNAQCLAVBHA-BDAKNGLRSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590240380 982903376 /nfs/dbraw/zinc/90/33/76/982903376.db2.gz SAERNAQCLAVBHA-BDAKNGLRSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@@H]1CCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590246179 982906018 /nfs/dbraw/zinc/90/60/18/982906018.db2.gz CDEXJTMJBHRJNW-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590246179 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BDADMM c1cc(N[C@@H]2C[C@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001593561716 983301676 /nfs/dbraw/zinc/30/16/76/983301676.db2.gz VDIBVHPOLXOKKC-WCBMZHEXSA-N -1 1 242.286 1.472 20 0 BDADMM c1cc(N[C@@H]2C[C@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001593561716 983301683 /nfs/dbraw/zinc/30/16/83/983301683.db2.gz VDIBVHPOLXOKKC-WCBMZHEXSA-N -1 1 242.286 1.472 20 0 BDADMM c1cn(CC[C@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC001593583158 983308428 /nfs/dbraw/zinc/30/84/28/983308428.db2.gz PMHMSUPFSUPPER-SECBINFHSA-N -1 1 248.290 1.022 20 0 BDADMM c1cn(CC[C@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001593583158 983308435 /nfs/dbraw/zinc/30/84/35/983308435.db2.gz PMHMSUPFSUPPER-SECBINFHSA-N -1 1 248.290 1.022 20 0 BDADMM CCc1nc([C@@H](C)S[C@@H](C)C(=O)[O-])n[nH]1 ZINC001593647498 983326474 /nfs/dbraw/zinc/32/64/74/983326474.db2.gz KOBTYHPCYJGUNR-RITPCOANSA-N -1 1 229.305 1.634 20 0 BDADMM CCc1nc([C@H](C)S[C@H](C)C(=O)[O-])n[nH]1 ZINC001593647496 983327490 /nfs/dbraw/zinc/32/74/90/983327490.db2.gz KOBTYHPCYJGUNR-NTSWFWBYSA-N -1 1 229.305 1.634 20 0 BDADMM CC(C)n1cc(NC(=O)c2cnncc2O)cn1 ZINC001358159076 983833827 /nfs/dbraw/zinc/83/38/27/983833827.db2.gz YNCIXWAEUUKGHG-UHFFFAOYSA-N -1 1 247.258 1.212 20 0 BDADMM CC(C)n1cc(NC(=O)c2cnncc2[O-])cn1 ZINC001358159076 983833828 /nfs/dbraw/zinc/83/38/28/983833828.db2.gz YNCIXWAEUUKGHG-UHFFFAOYSA-N -1 1 247.258 1.212 20 0 BDADMM O=C(Nc1cccnc1)c1ccc([O-])cn1 ZINC001440490383 984423580 /nfs/dbraw/zinc/42/35/80/984423580.db2.gz VHNLJDKAXLRZNF-UHFFFAOYSA-N -1 1 215.212 1.435 20 0 BDADMM Cc1c(NC(=O)c2cccc([O-])c2F)cnn1C ZINC001446051289 984622395 /nfs/dbraw/zinc/62/23/95/984622395.db2.gz RIYDDNNJYURLIF-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM NC(=O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001446464277 984657560 /nfs/dbraw/zinc/65/75/60/984657560.db2.gz BAQGJSHFEZOCAR-UHFFFAOYSA-N -1 1 242.662 1.250 20 0 BDADMM C/C(=C/CN1C[C@@H](C)OC2(CCC2)C1)C(=O)[O-] ZINC001588958924 984717130 /nfs/dbraw/zinc/71/71/30/984717130.db2.gz SYNOLPOUUMBPJP-NEOSZVFXSA-N -1 1 239.315 1.661 20 0 BDADMM O=C(NC1CC(F)(F)C1)c1ccc([O-])cn1 ZINC001447722142 984775449 /nfs/dbraw/zinc/77/54/49/984775449.db2.gz QNXQCIBDSVPTBQ-UHFFFAOYSA-N -1 1 228.198 1.315 20 0 BDADMM CC[C@H](F)C(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001449025619 984825944 /nfs/dbraw/zinc/82/59/44/984825944.db2.gz QLBGEJSBOCJOSM-ZETCQYMHSA-N -1 1 243.286 1.079 20 0 BDADMM C[C@@H]1CN=C(NC(=O)c2ccc([O-])cn2)S1 ZINC001451893242 984916288 /nfs/dbraw/zinc/91/62/88/984916288.db2.gz XHCMWLWYVWVMEJ-ZCFIWIBFSA-N -1 1 237.284 1.008 20 0 BDADMM CC[C@@H]1C[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001578439156 985064716 /nfs/dbraw/zinc/06/47/16/985064716.db2.gz ZPSNMUKKFFZYFH-BDAKNGLRSA-N -1 1 244.302 1.142 20 0 BDADMM CC[C@@H]1C[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001578439156 985064729 /nfs/dbraw/zinc/06/47/29/985064729.db2.gz ZPSNMUKKFFZYFH-BDAKNGLRSA-N -1 1 244.302 1.142 20 0 BDADMM O=C(N[C@@H]1CC12CCC2)c1ccc([O-])cn1 ZINC001455529051 985079155 /nfs/dbraw/zinc/07/91/55/985079155.db2.gz GPLXETSLHMEXFJ-SNVBAGLBSA-N -1 1 218.256 1.460 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)C1(c2ccccn2)CC1 ZINC001457824608 985239497 /nfs/dbraw/zinc/23/94/97/985239497.db2.gz WGXXLORHSJBYHJ-UHFFFAOYSA-N -1 1 244.254 1.181 20 0 BDADMM CC(C)=CCC[C@H](C)[NH2+]CCP(=O)([O-])[O-] ZINC001258075979 985380161 /nfs/dbraw/zinc/38/01/61/985380161.db2.gz HZRTYSSAENYXKR-JTQLQIEISA-N -1 1 235.264 1.889 20 0 BDADMM CCOC[C@H](C(=O)[O-])N(C)CCOCC(C)C ZINC001596883241 985751744 /nfs/dbraw/zinc/75/17/44/985751744.db2.gz AKZSWNBLNRIKFY-LLVKDONJSA-N -1 1 247.335 1.081 20 0 BDADMM COCOc1cccc([N-]c2nnco2)c1 ZINC001212895631 985894849 /nfs/dbraw/zinc/89/48/49/985894849.db2.gz YWFYHCZDWCRCIY-UHFFFAOYSA-N -1 1 221.216 1.796 20 0 BDADMM Cc1nc[nH]c1C(=O)OC1CC(CC(=O)[O-])C1 ZINC001599967671 985938757 /nfs/dbraw/zinc/93/87/57/985938757.db2.gz LNBZVXVEUHPGFP-UHFFFAOYSA-N -1 1 238.243 1.128 20 0 BDADMM Nc1ncc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001212966333 986005639 /nfs/dbraw/zinc/00/56/39/986005639.db2.gz RWALQERKCPYEHV-UHFFFAOYSA-N -1 1 238.197 1.786 20 0 BDADMM CN(C(=O)C=Cc1ccccc1F)c1nn[n-]n1 ZINC001461559990 986083061 /nfs/dbraw/zinc/08/30/61/986083061.db2.gz RTAISSNQANXTIJ-SREVYHEPSA-N -1 1 247.233 1.015 20 0 BDADMM [O-]c1cccc(CNn2cnnc2)c1Cl ZINC001461798862 986162080 /nfs/dbraw/zinc/16/20/80/986162080.db2.gz PSZFIQYKKKLWFF-UHFFFAOYSA-N -1 1 224.651 1.381 20 0 BDADMM O=S(=O)([N-][C@H]1CC12CCCCC2)C(F)F ZINC001259962009 986383460 /nfs/dbraw/zinc/38/34/60/986383460.db2.gz AXDBIIBMCOUWHH-ZETCQYMHSA-N -1 1 239.287 1.851 20 0 BDADMM Cc1cnc(CN[C@H]2CCC[C@@]2(C)C(=O)[O-])o1 ZINC001262158169 986541179 /nfs/dbraw/zinc/54/11/79/986541179.db2.gz ZOBHQMLYGBSHPC-JOYOIKCWSA-N -1 1 238.287 1.716 20 0 BDADMM CCCCOCCNC(=O)c1ccc([O-])cn1 ZINC001464524844 986636890 /nfs/dbraw/zinc/63/68/90/986636890.db2.gz WYXOPTDWKFMJRE-UHFFFAOYSA-N -1 1 238.287 1.334 20 0 BDADMM c1cc(-c2nnn[n-]2)ncc1C1=CCCOC1 ZINC001245157372 986687248 /nfs/dbraw/zinc/68/72/48/986687248.db2.gz GHKPMMWUULJLRD-UHFFFAOYSA-N -1 1 229.243 1.065 20 0 BDADMM c1cc(-c2nn[n-]n2)ncc1C1=CCCOC1 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1.005 20 0 BDADMM C[C@@H]1C[C@H](C(=O)[N-]OC2CCCCC2)CO1 ZINC000784165690 585852448 /nfs/dbraw/zinc/85/24/48/585852448.db2.gz ZOCJEECXORGQPQ-ZJUUUORDSA-N -1 1 227.304 1.792 20 0 BDADMM CC[C@H](C(=O)[N-]OCCO)c1ccc(F)cc1 ZINC000787295004 585905946 /nfs/dbraw/zinc/90/59/46/585905946.db2.gz SOGMJGDVMLPOFF-NSHDSACASA-N -1 1 241.262 1.359 20 0 BDADMM C[C@H](C(=O)[N-]OCCO)c1cccc(Cl)c1 ZINC000787300608 585906578 /nfs/dbraw/zinc/90/65/78/585906578.db2.gz RGYFSFCBJUORFS-QMMMGPOBSA-N -1 1 243.690 1.484 20 0 BDADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1CO[C@@H](C)C1 ZINC000794865950 586051882 /nfs/dbraw/zinc/05/18/82/586051882.db2.gz RTOKXUKSMRHZRR-GUBZILKMSA-N -1 1 215.293 1.505 20 0 BDADMM CCCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000797651124 586129855 /nfs/dbraw/zinc/12/98/55/586129855.db2.gz UPJCIYCXRKOKLV-UHFFFAOYSA-N -1 1 249.266 1.286 20 0 BDADMM CC(C)(C(=O)[N-]O[C@H]1CCCCO1)C1CC1 ZINC000806722765 586417121 /nfs/dbraw/zinc/41/71/21/586417121.db2.gz QHCDZRWKHVAMHI-JTQLQIEISA-N -1 1 227.304 1.997 20 0 BDADMM CCNCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000843145639 586445989 /nfs/dbraw/zinc/44/59/89/586445989.db2.gz PSMNEHJXYFGHCR-UHFFFAOYSA-N -1 1 237.234 1.691 20 0 BDADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](F)C(F)(F)F ZINC000816980590 586777933 /nfs/dbraw/zinc/77/79/33/586777933.db2.gz OHKBXECXIACKGJ-PHDIDXHHSA-N -1 1 231.189 1.981 20 0 BDADMM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCCOC1 ZINC000816980793 586778178 /nfs/dbraw/zinc/77/81/78/586778178.db2.gz UERSJNBUNXJCEV-NXEZZACHSA-N -1 1 215.293 1.507 20 0 BDADMM O=C(NOCCC1CC1)c1cc(F)ccc1[O-] ZINC000817430221 586805050 /nfs/dbraw/zinc/80/50/50/586805050.db2.gz VQNVUXWMVYAYFM-UHFFFAOYSA-N -1 1 239.246 1.993 20 0 BDADMM CCC=C(C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820403811 587046716 /nfs/dbraw/zinc/04/67/16/587046716.db2.gz ZWOSFIRIAZCMDL-WAYWQWQTSA-N -1 1 209.249 1.719 20 0 BDADMM COc1ccc2oc(CN(C)CC(=O)[O-])cc2c1 ZINC000820858663 587078199 /nfs/dbraw/zinc/07/81/99/587078199.db2.gz OUQCNVKQZJETLQ-UHFFFAOYSA-N -1 1 249.266 1.958 20 0 BDADMM COc1cnc(C=Cc2cccnc2)[n-]c1=O ZINC000821007415 587088115 /nfs/dbraw/zinc/08/81/15/587088115.db2.gz HZSWNKCXZOWZBL-PLNGDYQASA-N -1 1 229.239 1.756 20 0 BDADMM Cc1cnc([C@H](C)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000821136605 587097922 /nfs/dbraw/zinc/09/79/22/587097922.db2.gz ZZJFHYSHRDIVER-IUCAKERBSA-N -1 1 224.260 1.451 20 0 BDADMM CSCCO[N-]C(=O)C1(C)CC(F)(F)C1 ZINC000822593916 587176858 /nfs/dbraw/zinc/17/68/58/587176858.db2.gz OZNKELGTPQGHMU-UHFFFAOYSA-N -1 1 239.287 1.833 20 0 BDADMM Fc1ccc(C[NH+]2CCCC2)cc1-c1nn[n-]n1 ZINC000822771210 587185261 /nfs/dbraw/zinc/18/52/61/587185261.db2.gz FCMLETJBWSWZLE-UHFFFAOYSA-N -1 1 247.277 1.602 20 0 BDADMM c1cc(-c2nnn[n-]2)oc1CNc1ccccn1 ZINC000823787271 587240525 /nfs/dbraw/zinc/24/05/25/587240525.db2.gz JYSVZAVDCPETSP-UHFFFAOYSA-N -1 1 242.242 1.467 20 0 BDADMM c1cc(-c2nn[n-]n2)oc1CNc1ccccn1 ZINC000823787271 587240527 /nfs/dbraw/zinc/24/05/27/587240527.db2.gz JYSVZAVDCPETSP-UHFFFAOYSA-N -1 1 242.242 1.467 20 0 BDADMM CC(C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824193068 587259822 /nfs/dbraw/zinc/25/98/22/587259822.db2.gz RIKNITOKOREOLJ-ZETCQYMHSA-N -1 1 233.279 1.113 20 0 BDADMM CC(C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824193068 587259823 /nfs/dbraw/zinc/25/98/23/587259823.db2.gz RIKNITOKOREOLJ-ZETCQYMHSA-N -1 1 233.279 1.113 20 0 BDADMM CC(C)N(CCNC(=O)[O-])Cc1ccccn1 ZINC000824346019 587267183 /nfs/dbraw/zinc/26/71/83/587267183.db2.gz BJHSTSXLGJKVPA-UHFFFAOYSA-N -1 1 237.303 1.560 20 0 BDADMM CC[C@@H](C)Cn1ccnc1-c1nnn[n-]1 ZINC000825069085 587302542 /nfs/dbraw/zinc/30/25/42/587302542.db2.gz XZIMQLTUGHDVLW-SSDOTTSWSA-N -1 1 206.253 1.109 20 0 BDADMM CC[C@@H](C)Cn1ccnc1-c1nn[n-]n1 ZINC000825069085 587302544 /nfs/dbraw/zinc/30/25/44/587302544.db2.gz XZIMQLTUGHDVLW-SSDOTTSWSA-N -1 1 206.253 1.109 20 0 BDADMM CN(CC(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825897933 587344895 /nfs/dbraw/zinc/34/48/95/587344895.db2.gz RLNAPSLNRDIHTE-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CN(CC(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825897933 587344897 /nfs/dbraw/zinc/34/48/97/587344897.db2.gz RLNAPSLNRDIHTE-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CC/C(C)=C/C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000826048637 587349380 /nfs/dbraw/zinc/34/93/80/587349380.db2.gz UQPKSJOHOBJRBX-CMDGGOBGSA-N -1 1 249.318 1.442 20 0 BDADMM c1cn(CC2CCCC2)c(-c2nnn[n-]2)n1 ZINC000826525173 587354115 /nfs/dbraw/zinc/35/41/15/587354115.db2.gz YYNRJGSNUZKKOO-UHFFFAOYSA-N -1 1 218.264 1.253 20 0 BDADMM c1cn(CC2CCCC2)c(-c2nn[n-]n2)n1 ZINC000826525173 587354116 /nfs/dbraw/zinc/35/41/16/587354116.db2.gz YYNRJGSNUZKKOO-UHFFFAOYSA-N -1 1 218.264 1.253 20 0 BDADMM CCN(CCN[C@H](C)c1cnccn1)C(=O)[O-] ZINC000827150460 587371215 /nfs/dbraw/zinc/37/12/15/587371215.db2.gz HXTQHRNZFYRWNM-SECBINFHSA-N -1 1 238.291 1.127 20 0 BDADMM CN(C[C@H]1CCCN1Cc1cccnc1)C(=O)[O-] ZINC000828229471 587426141 /nfs/dbraw/zinc/42/61/41/587426141.db2.gz DJFLHAYXMSTJTD-GFCCVEGCSA-N -1 1 249.314 1.656 20 0 BDADMM C[N@@H+](CCNC(=O)[O-])Cc1cccc(O)c1 ZINC000828329982 587435609 /nfs/dbraw/zinc/43/56/09/587435609.db2.gz QMVHVKUDPARPQE-UHFFFAOYSA-N -1 1 224.260 1.092 20 0 BDADMM CN(CCNC(=O)[O-])Cc1cccc(O)c1 ZINC000828329982 587435612 /nfs/dbraw/zinc/43/56/12/587435612.db2.gz QMVHVKUDPARPQE-UHFFFAOYSA-N -1 1 224.260 1.092 20 0 BDADMM CC[C@@H](C)CN(CC)Cn1cc(C(=O)[O-])nn1 ZINC000828747476 587460152 /nfs/dbraw/zinc/46/01/52/587460152.db2.gz PFTKSGXHBTZQFA-SECBINFHSA-N -1 1 240.307 1.302 20 0 BDADMM CC(C(=O)N(C)C[C@H](C)c1nn[n-]n1)=C1CCC1 ZINC000829165805 587485950 /nfs/dbraw/zinc/48/59/50/587485950.db2.gz FFYZNHSIHYLZMR-QMMMGPOBSA-N -1 1 249.318 1.262 20 0 BDADMM CSCCCN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000829736869 587512771 /nfs/dbraw/zinc/51/27/71/587512771.db2.gz APHJUOVYVTZDSH-VIFPVBQESA-N -1 1 232.349 1.424 20 0 BDADMM Cc1cc(CNC2CN(C(=O)[O-])C2)ccc1F ZINC000830041096 587533179 /nfs/dbraw/zinc/53/31/79/587533179.db2.gz HILOWGHDEGUYOB-UHFFFAOYSA-N -1 1 238.262 1.586 20 0 BDADMM Cc1cc(CNC2CCN(C(=O)[O-])CC2)no1 ZINC000830042287 587533418 /nfs/dbraw/zinc/53/34/18/587533418.db2.gz ZQFRLXINSZPWJU-UHFFFAOYSA-N -1 1 239.275 1.215 20 0 BDADMM Cc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832967696 587695780 /nfs/dbraw/zinc/69/57/80/587695780.db2.gz OJFWRDZRVXQPIU-CYBMUJFWSA-N -1 1 237.274 1.994 20 0 BDADMM Cc1noc([C@H](C)N2C[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000833022065 587697701 /nfs/dbraw/zinc/69/77/01/587697701.db2.gz XOWUNMYJCDBWLJ-ACLDMZEESA-N -1 1 239.275 1.092 20 0 BDADMM C[C@H]1CCOCCN1Cc1occc1C(=O)[O-] ZINC000833616733 587724533 /nfs/dbraw/zinc/72/45/33/587724533.db2.gz FUBOYZRGVPMKES-VIFPVBQESA-N -1 1 239.271 1.589 20 0 BDADMM C[C@@H]1CCOCCN1Cc1cc(C(=O)[O-])co1 ZINC000833617639 587724616 /nfs/dbraw/zinc/72/46/16/587724616.db2.gz USUOBLWIAOWGBJ-SECBINFHSA-N -1 1 239.271 1.589 20 0 BDADMM C[C@H]1CCOCCN1Cc1cc(C(=O)[O-])co1 ZINC000833617641 587725124 /nfs/dbraw/zinc/72/51/24/587725124.db2.gz USUOBLWIAOWGBJ-VIFPVBQESA-N -1 1 239.271 1.589 20 0 BDADMM CCn1cc(CNCc2ccc(C(=O)[O-])[nH]2)cn1 ZINC000833682614 587727920 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C[C@@H](CC(=O)[O-])C(=O)Nc1cccc2[nH]nnc21 ZINC001592361955 983150005 /nfs/dbraw/zinc/15/00/05/983150005.db2.gz OJMSVCGENLLHKQ-LURJTMIESA-N -1 1 248.242 1.007 20 0 BDADMM FC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001592631153 983183250 /nfs/dbraw/zinc/18/32/50/983183250.db2.gz ARGNAJDGJPMPDK-UHFFFAOYSA-N -1 1 239.279 1.082 20 0 BDADMM c1cc(NCCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593561186 983304681 /nfs/dbraw/zinc/30/46/81/983304681.db2.gz RWLDTGMFKNVKFH-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM c1cc(NCCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593561186 983304686 /nfs/dbraw/zinc/30/46/86/983304686.db2.gz RWLDTGMFKNVKFH-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM c1cc(S[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001593563018 983304992 /nfs/dbraw/zinc/30/49/92/983304992.db2.gz VXIMKLMUDXIJKL-ZETCQYMHSA-N -1 1 249.299 1.143 20 0 BDADMM c1cc(S[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001593563018 983304999 /nfs/dbraw/zinc/30/49/99/983304999.db2.gz VXIMKLMUDXIJKL-ZETCQYMHSA-N -1 1 249.299 1.143 20 0 BDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCC1CC1 ZINC001593593013 983308282 /nfs/dbraw/zinc/30/82/82/983308282.db2.gz HQDYNFKHCPPSIC-UHFFFAOYSA-N -1 1 243.274 1.116 20 0 BDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CC12CCC2 ZINC001593589976 983310034 /nfs/dbraw/zinc/31/00/34/983310034.db2.gz ATNWIDWCWYKJLM-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CC12CCC2 ZINC001593589976 983310038 /nfs/dbraw/zinc/31/00/38/983310038.db2.gz ATNWIDWCWYKJLM-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CC23CCC3)n1 ZINC001593595295 983312267 /nfs/dbraw/zinc/31/22/67/983312267.db2.gz QDLRRVUQRWVVLB-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM CCc1nnc(CN[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001593654607 983324935 /nfs/dbraw/zinc/32/49/35/983324935.db2.gz MVPLQUBGQUNOEG-KNVOCYPGSA-N -1 1 241.316 1.053 20 0 BDADMM O=C([O-])Cc1nccnc1-c1ccc(F)cc1O ZINC001242218262 983420668 /nfs/dbraw/zinc/42/06/68/983420668.db2.gz PXEQYRYMBQNDRB-UHFFFAOYSA-N -1 1 248.213 1.615 20 0 BDADMM CN(C)c1ccnc(-c2ccc(C(=O)[O-])nc2)c1 ZINC001242332868 983572686 /nfs/dbraw/zinc/57/26/86/983572686.db2.gz AZCKMHWNUXBXNT-UHFFFAOYSA-N -1 1 243.266 1.908 20 0 BDADMM CC[C@H]1CCCN(C(=O)c2cnncc2[O-])C1 ZINC001357726500 983761766 /nfs/dbraw/zinc/76/17/66/983761766.db2.gz NKOYWROAAROMPN-VIFPVBQESA-N -1 1 235.287 1.444 20 0 BDADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1cnncc1[O-] ZINC001357993804 983813068 /nfs/dbraw/zinc/81/30/68/983813068.db2.gz WPJCTFPOSOQLQV-NSHDSACASA-N -1 1 249.314 1.833 20 0 BDADMM CN(C)c1nc(Nc2cccc(=O)[nH]2)cc(=O)[n-]1 ZINC001212787446 984019812 /nfs/dbraw/zinc/01/98/12/984019812.db2.gz AKIWFSCOFBLTTI-UHFFFAOYSA-N -1 1 247.258 1.092 20 0 BDADMM Fc1ccc(-c2noc(-c3cn[n-]n3)n2)cc1F ZINC001212799201 984164557 /nfs/dbraw/zinc/16/45/57/984164557.db2.gz NYTASIUOQYRMDF-UHFFFAOYSA-N -1 1 249.180 1.800 20 0 BDADMM CCc1ncc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001545917689 984371050 /nfs/dbraw/zinc/37/10/50/984371050.db2.gz QUXCQOQOOBECFR-UHFFFAOYSA-N -1 1 244.254 1.392 20 0 BDADMM CCN(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001440795972 984431616 /nfs/dbraw/zinc/43/16/16/984431616.db2.gz IFLKZYKKCOSIAY-UHFFFAOYSA-N -1 1 221.256 1.605 20 0 BDADMM O=C(c1ccc([O-])cn1)N1C2CCC1CC2 ZINC001440884313 984444097 /nfs/dbraw/zinc/44/40/97/984444097.db2.gz NCPQPQBYEUQCMF-UHFFFAOYSA-N -1 1 218.256 1.554 20 0 BDADMM Cn1ccnc1NC(=O)c1ccc(F)c([O-])c1 ZINC001299420225 984444878 /nfs/dbraw/zinc/44/48/78/984444878.db2.gz SJZHYVHKTGASLX-UHFFFAOYSA-N -1 1 235.218 1.517 20 0 BDADMM O=C(NCc1c[nH]cn1)c1cccc([O-])c1F ZINC001444409903 984553877 /nfs/dbraw/zinc/55/38/77/984553877.db2.gz PWWDQTWESYRDBX-UHFFFAOYSA-N -1 1 235.218 1.184 20 0 BDADMM CSCCONC(=O)c1ccc(F)c([O-])c1 ZINC001448878530 984821894 /nfs/dbraw/zinc/82/18/94/984821894.db2.gz XWOIGNRKPWKEHU-UHFFFAOYSA-N -1 1 245.275 1.556 20 0 BDADMM Nc1ccc(-c2ccc([O-])c(F)c2F)nn1 ZINC001243339550 984830613 /nfs/dbraw/zinc/83/06/13/984830613.db2.gz KVRCRSQKTVUFKI-UHFFFAOYSA-N -1 1 223.182 1.710 20 0 BDADMM Cc1nocc1CNC(=O)c1ccc([O-])cn1 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CCCN(CCO)C(=O)c1cc(F)ccc1[O-] ZINC000128621022 169164093 /nfs/dbraw/zinc/16/40/93/169164093.db2.gz BVAHUVOJQATZBD-UHFFFAOYSA-N -1 1 241.262 1.376 20 0 BDADMM CC(C)(CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000035608609 383863226 /nfs/dbraw/zinc/86/32/26/383863226.db2.gz WVTORRXZGMZPQK-UHFFFAOYSA-N -1 1 243.690 1.546 20 0 BDADMM CC(C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640689 383872952 /nfs/dbraw/zinc/87/29/52/383872952.db2.gz GORUDPDLBUETLO-UHFFFAOYSA-N -1 1 242.348 1.794 20 0 BDADMM CC(C)[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000092617073 384151106 /nfs/dbraw/zinc/15/11/06/384151106.db2.gz ZPZNLYXFRQATNQ-GFCCVEGCSA-N -1 1 246.314 1.585 20 0 BDADMM C[C@H](CO)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000093244829 384224107 /nfs/dbraw/zinc/22/41/07/384224107.db2.gz JHQUOQFHDWGOHS-SSDOTTSWSA-N -1 1 243.690 1.498 20 0 BDADMM Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCOC2)n1 ZINC000132771428 384250284 /nfs/dbraw/zinc/25/02/84/384250284.db2.gz JMCYNGSTWFPZMY-SNVBAGLBSA-N -1 1 222.288 1.316 20 0 BDADMM 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CC[C@@H](CSC)NC(=O)c1cncc([O-])c1 ZINC000162440082 384620450 /nfs/dbraw/zinc/62/04/50/384620450.db2.gz AOFHPXJCGYTKBG-VIFPVBQESA-N -1 1 240.328 1.659 20 0 BDADMM CCCCC(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000176787331 384771821 /nfs/dbraw/zinc/77/18/21/384771821.db2.gz SWRHPIBOHVTWMO-QMMMGPOBSA-N -1 1 225.296 1.347 20 0 BDADMM CCCN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000426446775 384811015 /nfs/dbraw/zinc/81/10/15/384811015.db2.gz CDALDMKCHRFSMB-UHFFFAOYSA-N -1 1 222.288 1.968 20 0 BDADMM CC=CC=CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000491860484 384906697 /nfs/dbraw/zinc/90/66/97/384906697.db2.gz RPYDDGXLNHDZQG-SWBALALESA-N -1 1 247.302 1.218 20 0 BDADMM Cc1cnccc1NC(=O)c1cncc([O-])c1 ZINC000109041620 384934159 /nfs/dbraw/zinc/93/41/59/384934159.db2.gz JHYBVCNESLJYGJ-UHFFFAOYSA-N -1 1 229.239 1.743 20 0 BDADMM C[C@@H](O)CCN(C)C(=O)c1c([O-])cccc1F ZINC000187640147 384968300 /nfs/dbraw/zinc/96/83/00/384968300.db2.gz QHKSNLDPMJLANX-MRVPVSSYSA-N -1 1 241.262 1.374 20 0 BDADMM CCO[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] 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ZINC000364505522 385474977 /nfs/dbraw/zinc/47/49/77/385474977.db2.gz NWRJWSSIFQZEJP-LLVKDONJSA-N -1 1 248.282 1.038 20 0 BDADMM O=C([O-])CCCN1CCO[C@H](c2ccccc2)C1 ZINC000172067500 385547184 /nfs/dbraw/zinc/54/71/84/385547184.db2.gz HMYGRHNEEIHCGY-ZDUSSCGKSA-N -1 1 249.310 1.925 20 0 BDADMM CC[C@H](O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000230016377 385699196 /nfs/dbraw/zinc/69/91/96/385699196.db2.gz NJTXTOUIRXJRSX-QMMMGPOBSA-N -1 1 243.690 1.546 20 0 BDADMM CCOCCN=c1nc([C@H](C)OC)[n-]s1 ZINC000336714084 385808476 /nfs/dbraw/zinc/80/84/76/385808476.db2.gz VVCHSBMTUKOYCB-ZETCQYMHSA-N -1 1 231.321 1.116 20 0 BDADMM CC(C)(C)C(C)(C)C(=O)Nc1nnn[n-]1 ZINC000340469094 385857541 /nfs/dbraw/zinc/85/75/41/385857541.db2.gz ZIKWBNLFRNKXIE-UHFFFAOYSA-N -1 1 211.269 1.211 20 0 BDADMM CC(C)(C)C(C)(C)C(=O)Nc1nn[n-]n1 ZINC000340469094 385857546 /nfs/dbraw/zinc/85/75/46/385857546.db2.gz ZIKWBNLFRNKXIE-UHFFFAOYSA-N -1 1 211.269 1.211 20 0 BDADMM C[C@H](Cc1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000112114383 385832718 /nfs/dbraw/zinc/83/27/18/385832718.db2.gz UDVITBZPWNFWGE-MRVPVSSYSA-N -1 1 231.259 1.017 20 0 BDADMM C[C@H](Cc1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000112114383 385832722 /nfs/dbraw/zinc/83/27/22/385832722.db2.gz UDVITBZPWNFWGE-MRVPVSSYSA-N -1 1 231.259 1.017 20 0 BDADMM Cc1coc(C)c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816316 385868158 /nfs/dbraw/zinc/86/81/58/385868158.db2.gz FJPQHXMWHRLHNV-UHFFFAOYSA-N -1 1 235.243 1.886 20 0 BDADMM C/C=C/C[C@@H](CO)[N-]C(=O)C(F)(F)C(F)F ZINC000274529482 386113064 /nfs/dbraw/zinc/11/30/64/386113064.db2.gz BEMPXYKJKSFOIN-SZKDQXIBSA-N -1 1 243.200 1.330 20 0 BDADMM CCCC[N-]S(=O)(=O)c1sccc1F ZINC000338849194 386154150 /nfs/dbraw/zinc/15/41/50/386154150.db2.gz JNWCPQIJNOOMCS-UHFFFAOYSA-N -1 1 237.321 1.966 20 0 BDADMM O=S(=O)([N-]CC(F)(F)F)c1ccoc1 ZINC000288654849 386225976 /nfs/dbraw/zinc/22/59/76/386225976.db2.gz UUUQJNRSTDUHGQ-UHFFFAOYSA-N -1 1 229.179 1.120 20 0 BDADMM Cc1cc(N[C@H](C)C(=O)[O-])c2cc(F)ccc2n1 ZINC000347236039 386274698 /nfs/dbraw/zinc/27/46/98/386274698.db2.gz OFSDAKLZYMBWJE-MRVPVSSYSA-N -1 1 248.257 1.989 20 0 BDADMM Cn1cccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000226698311 386366449 /nfs/dbraw/zinc/36/64/49/386366449.db2.gz HAJZMZXOAQWWRF-UHFFFAOYSA-N -1 1 238.184 1.542 20 0 BDADMM CCc1nc(SCC(C)=O)[n-]c(=O)c1C ZINC000519659027 386520601 /nfs/dbraw/zinc/52/06/01/386520601.db2.gz WZGDWZCSATVICG-UHFFFAOYSA-N -1 1 226.301 1.734 20 0 BDADMM CO[C@@H]1CC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000188441331 386521598 /nfs/dbraw/zinc/52/15/98/386521598.db2.gz CNNXHWFSTDXDPN-GXSJLCMTSA-N -1 1 236.271 1.085 20 0 BDADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cnn(C)c1 ZINC000164150286 386593051 /nfs/dbraw/zinc/59/30/51/386593051.db2.gz MTGYLPZABDYGQF-MRVPVSSYSA-N -1 1 246.270 1.012 20 0 BDADMM CC(C)N(C)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000278563196 386549297 /nfs/dbraw/zinc/54/92/97/386549297.db2.gz IANQEXBEFZYXNY-UHFFFAOYSA-N -1 1 236.250 1.577 20 0 BDADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ncccc1[O-] ZINC000335523276 386663405 /nfs/dbraw/zinc/66/34/05/386663405.db2.gz SPYGHMQAPGXMCQ-RKDXNWHRSA-N -1 1 238.262 1.798 20 0 BDADMM O=C(Nc1nncs1)c1ccc(O)cc1[O-] ZINC000192860088 386688749 /nfs/dbraw/zinc/68/87/49/386688749.db2.gz HAVLDQNASGDLLQ-UHFFFAOYSA-N -1 1 237.240 1.202 20 0 BDADMM CCO[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000292579729 386692659 /nfs/dbraw/zinc/69/26/59/386692659.db2.gz ZWAGGSOKSMQYCR-MRVPVSSYSA-N -1 1 237.255 1.587 20 0 BDADMM CC(C)c1noc([N-]Cc2nnc3n2CCC3)n1 ZINC000269411900 386788970 /nfs/dbraw/zinc/78/89/70/386788970.db2.gz ZLEKODMZSGFNOK-UHFFFAOYSA-N -1 1 248.290 1.343 20 0 BDADMM C[C@H](C(=O)[N-]OCC1CC1)c1cccnc1 ZINC000293705621 386863470 /nfs/dbraw/zinc/86/34/70/386863470.db2.gz DWRPPUQPZNJUEP-VIFPVBQESA-N -1 1 220.272 1.643 20 0 BDADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccon1 ZINC000357944471 386870568 /nfs/dbraw/zinc/87/05/68/386870568.db2.gz NGKFCFKOVSGSEB-ZETCQYMHSA-N -1 1 233.227 1.266 20 0 BDADMM CN(CCF)C(=O)c1c(F)ccc([O-])c1F ZINC000293850660 386889366 /nfs/dbraw/zinc/88/93/66/386889366.db2.gz ITIMEUAJNMGAOS-UHFFFAOYSA-N -1 1 233.189 1.712 20 0 BDADMM Cc1cnc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000335768564 386911989 /nfs/dbraw/zinc/91/19/89/386911989.db2.gz WUVHEPNFVIMNSL-RKDXNWHRSA-N -1 1 220.272 1.719 20 0 BDADMM CC[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000334903383 386976258 /nfs/dbraw/zinc/97/62/58/386976258.db2.gz CRAJFOMMMYFFKX-NSHDSACASA-N -1 1 247.294 1.976 20 0 BDADMM O=C(Nc1nnn[n-]1)c1cccc2ncccc21 ZINC000359037192 387046457 /nfs/dbraw/zinc/04/64/57/387046457.db2.gz JYSDSNXZUFTKSY-UHFFFAOYSA-N -1 1 240.226 1.000 20 0 BDADMM O=C(Nc1nn[n-]n1)c1cccc2ncccc21 ZINC000359037192 387046462 /nfs/dbraw/zinc/04/64/62/387046462.db2.gz JYSDSNXZUFTKSY-UHFFFAOYSA-N -1 1 240.226 1.000 20 0 BDADMM O=C(NC[C@@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000648021478 387016832 /nfs/dbraw/zinc/01/68/32/387016832.db2.gz APLAKYWGBZINTI-VIFPVBQESA-N -1 1 239.246 1.440 20 0 BDADMM Cc1cc([N-]S(=O)(=O)C2CC2)nn1C(C)C ZINC000334991343 387080215 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/nfs/dbraw/zinc/45/75/71/387457571.db2.gz UOBVYHWDCUOZJG-VHSXEESVSA-N -1 1 248.282 1.038 20 0 BDADMM CCc1cccnc1[N-]S(C)(=O)=O ZINC000274785068 387495916 /nfs/dbraw/zinc/49/59/16/387495916.db2.gz ZIMRAFCMRRYKOZ-UHFFFAOYSA-N -1 1 200.263 1.016 20 0 BDADMM O=C(Nc1nnn[n-]1)c1coc2cc(F)ccc12 ZINC000356118108 387619184 /nfs/dbraw/zinc/61/91/84/387619184.db2.gz OBLZJSKDCVZWLT-UHFFFAOYSA-N -1 1 247.189 1.337 20 0 BDADMM O=C(Nc1nn[n-]n1)c1coc2cc(F)ccc12 ZINC000356118108 387619194 /nfs/dbraw/zinc/61/91/94/387619194.db2.gz OBLZJSKDCVZWLT-UHFFFAOYSA-N -1 1 247.189 1.337 20 0 BDADMM O=C(Nc1nnn[n-]1)c1cc[nH]c1C1CCC1 ZINC000362805053 387659579 /nfs/dbraw/zinc/65/95/79/387659579.db2.gz IUHARATULZEJCR-UHFFFAOYSA-N -1 1 232.247 1.048 20 0 BDADMM O=C(Nc1nn[n-]n1)c1cc[nH]c1C1CCC1 ZINC000362805053 387659583 /nfs/dbraw/zinc/65/95/83/387659583.db2.gz IUHARATULZEJCR-UHFFFAOYSA-N -1 1 232.247 1.048 20 0 BDADMM CCC[C@H](NC(=O)C[C@@H]1C[C@H]1C)c1nn[n-]n1 ZINC000362949866 387676675 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/nfs/dbraw/zinc/34/56/88/980345688.db2.gz IUWNGKXTQYTQAJ-UHFFFAOYSA-N -1 1 233.202 1.574 20 0 BDADMM Cc1coc(C[N-]S(=O)(=O)c2ccco2)n1 ZINC001186806545 980439965 /nfs/dbraw/zinc/43/99/65/980439965.db2.gz PPZSVSKQLZJGMV-UHFFFAOYSA-N -1 1 242.256 1.055 20 0 BDADMM C[C@@H](C(=O)OCc1nn[n-]n1)c1ccccc1 ZINC001345156249 980566313 /nfs/dbraw/zinc/56/63/13/980566313.db2.gz BTYDUJYJDTYDIM-MRVPVSSYSA-N -1 1 232.243 1.047 20 0 BDADMM C[C@H]([N-]S(=O)(=O)c1nccs1)C1CCC1 ZINC001187923120 980572618 /nfs/dbraw/zinc/57/26/18/980572618.db2.gz FSASWKWEIWTVTM-ZETCQYMHSA-N -1 1 246.357 1.610 20 0 BDADMM O=C(OCc1nn[n-]n1)[C@@H]1CCC=CCCC1 ZINC001345226963 980588390 /nfs/dbraw/zinc/58/83/90/980588390.db2.gz YCICZIGPAJPKOK-SECBINFHSA-N -1 1 236.275 1.379 20 0 BDADMM O=S(=O)(CC1CC1)[N-]c1ccc(F)cn1 ZINC001188921921 980715105 /nfs/dbraw/zinc/71/51/05/980715105.db2.gz SGVUKMVEJNWFOR-UHFFFAOYSA-N -1 1 230.264 1.372 20 0 BDADMM Cc1cc([N-]S(=O)(=O)CC2CC2)nc(C)n1 ZINC001188921423 980715526 /nfs/dbraw/zinc/71/55/26/980715526.db2.gz JUCVWZLKEMLSJG-UHFFFAOYSA-N -1 1 241.316 1.245 20 0 BDADMM C[C@@H]1CCC[C@@H]1CC(=O)OCc1nn[n-]n1 ZINC001346450051 980839980 /nfs/dbraw/zinc/83/99/80/980839980.db2.gz MJMALUGDIKHNDC-HTQZYQBOSA-N -1 1 224.264 1.069 20 0 BDADMM CC[C@]1(C)CN(C/C=C(/C)C(=O)[O-])CCO1 ZINC001595370450 980841876 /nfs/dbraw/zinc/84/18/76/980841876.db2.gz LSPVNWRGSDDOEV-DUWGPSABSA-N -1 1 227.304 1.518 20 0 BDADMM O=C(NC12CCC(CC1)C2)c1cnncc1[O-] ZINC001346976978 980942883 /nfs/dbraw/zinc/94/28/83/980942883.db2.gz XCSSGADIPMDFPU-UHFFFAOYSA-N -1 1 233.271 1.245 20 0 BDADMM CCN(C(=O)c1cnncc1[O-])C1CCCC1 ZINC001347036276 980954171 /nfs/dbraw/zinc/95/41/71/980954171.db2.gz NIRGYOCAKYKLLA-UHFFFAOYSA-N -1 1 235.287 1.587 20 0 BDADMM C[C@@H]1CN(C(=O)c2cnncc2[O-])[C@@H](C)[C@H]1C ZINC001347141612 980988222 /nfs/dbraw/zinc/98/82/22/980988222.db2.gz CEOGDMZILXJWFY-VGMNWLOBSA-N -1 1 235.287 1.299 20 0 BDADMM CC[C@@H](C)NC(=O)c1cnc(SC)[n-]c1=O ZINC001191437823 981035068 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982929388 /nfs/dbraw/zinc/92/93/88/982929388.db2.gz HFAGNTJIUBLAPW-HTQZYQBOSA-N -1 1 247.306 1.503 20 0 BDADMM CC[C@@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590401638 982931612 /nfs/dbraw/zinc/93/16/12/982931612.db2.gz WLKWXRIMXXDHDM-SFYZADRCSA-N -1 1 247.306 1.503 20 0 BDADMM CC[C@@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590401638 982931633 /nfs/dbraw/zinc/93/16/33/982931633.db2.gz WLKWXRIMXXDHDM-SFYZADRCSA-N -1 1 247.306 1.503 20 0 BDADMM CCC(CC)CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590434551 982939669 /nfs/dbraw/zinc/93/96/69/982939669.db2.gz WWADDGXFTNKGLH-UHFFFAOYSA-N -1 1 235.295 1.438 20 0 BDADMM CCC(CC)CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590434551 982939680 /nfs/dbraw/zinc/93/96/80/982939680.db2.gz WWADDGXFTNKGLH-UHFFFAOYSA-N -1 1 235.295 1.438 20 0 BDADMM CCC(CC)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590435714 982943291 /nfs/dbraw/zinc/94/32/91/982943291.db2.gz CPEKCKKAKOBWPM-UHFFFAOYSA-N -1 1 247.306 1.566 20 0 BDADMM CCC(CC)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590435714 982943299 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/nfs/dbraw/zinc/00/13/60/983001360.db2.gz ZJCRVFNPYMYVOW-UHFFFAOYSA-N -1 1 238.320 1.391 20 0 BDADMM C[C@@]1(C(=O)[O-])CCC[C@H]1NCc1csnn1 ZINC001353910166 983072791 /nfs/dbraw/zinc/07/27/91/983072791.db2.gz QPJCDNBMVXJHBF-PSASIEDQSA-N -1 1 241.316 1.271 20 0 BDADMM Cc1cccc(CNC[C@H](F)C(=O)[O-])c1 ZINC001353953236 983098830 /nfs/dbraw/zinc/09/88/30/983098830.db2.gz AQXYQAVKCBBVTL-JTQLQIEISA-N -1 1 211.236 1.507 20 0 BDADMM Cc1cc(N2CC[C@@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592009055 983110842 /nfs/dbraw/zinc/11/08/42/983110842.db2.gz RRXUGFREHQSIIH-MRVPVSSYSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1cc(N2CC[C@@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592009055 983110850 /nfs/dbraw/zinc/11/08/50/983110850.db2.gz RRXUGFREHQSIIH-MRVPVSSYSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1cc(N[C@H]2CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592036845 983111161 /nfs/dbraw/zinc/11/11/61/983111161.db2.gz BGWQAYDSPJVGLA-XCBNKYQSSA-N -1 1 244.302 1.202 20 0 BDADMM Cc1cc(N[C@H]2CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592036845 983111164 /nfs/dbraw/zinc/11/11/64/983111164.db2.gz BGWQAYDSPJVGLA-XCBNKYQSSA-N -1 1 244.302 1.202 20 0 BDADMM Cc1cc(N[C@H]2CC2(C)C)nc(-c2nnn[n-]2)c1 ZINC001592054931 983111228 /nfs/dbraw/zinc/11/12/28/983111228.db2.gz MCQQJSOWROQVCZ-VIFPVBQESA-N -1 1 244.302 1.781 20 0 BDADMM Cc1cc(N[C@H]2CC2(C)C)nc(-c2nn[n-]n2)c1 ZINC001592054931 983111234 /nfs/dbraw/zinc/11/12/34/983111234.db2.gz MCQQJSOWROQVCZ-VIFPVBQESA-N -1 1 244.302 1.781 20 0 BDADMM Cc1nsc(N2CC=CCC2)c1-c1nn[n-]n1 ZINC001592473397 983167879 /nfs/dbraw/zinc/16/78/79/983167879.db2.gz XHCWZFDQRGCBFI-UHFFFAOYSA-N -1 1 248.315 1.398 20 0 BDADMM FCCSc1cccnc1-c1nnn[n-]1 ZINC001592630519 983183905 /nfs/dbraw/zinc/18/39/05/983183905.db2.gz YDFFMMRYARHVNB-UHFFFAOYSA-N -1 1 225.252 1.323 20 0 BDADMM FCCSc1cccnc1-c1nn[n-]n1 ZINC001592630519 983183912 /nfs/dbraw/zinc/18/39/12/983183912.db2.gz YDFFMMRYARHVNB-UHFFFAOYSA-N -1 1 225.252 1.323 20 0 BDADMM FC(F)=C(F)CCn1ccnc1-c1nnn[n-]1 ZINC001592625221 983186129 /nfs/dbraw/zinc/18/61/29/983186129.db2.gz TUFPCNKCNNQUOF-UHFFFAOYSA-N -1 1 244.180 1.531 20 0 BDADMM FC(F)=C(F)CCn1ccnc1-c1nn[n-]n1 ZINC001592625221 983186131 /nfs/dbraw/zinc/18/61/31/983186131.db2.gz TUFPCNKCNNQUOF-UHFFFAOYSA-N -1 1 244.180 1.531 20 0 BDADMM CNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001200610039 983230252 /nfs/dbraw/zinc/23/02/52/983230252.db2.gz XDWMZMYSUAFADH-UHFFFAOYSA-N -1 1 218.228 1.587 20 0 BDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001593244156 983245677 /nfs/dbraw/zinc/24/56/77/983245677.db2.gz TYNRGLUETUUPPD-UHFFFAOYSA-N -1 1 244.258 1.000 20 0 BDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001593244156 983245683 /nfs/dbraw/zinc/24/56/83/983245683.db2.gz TYNRGLUETUUPPD-UHFFFAOYSA-N -1 1 244.258 1.000 20 0 BDADMM c1c(NC2CC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543458 983297183 /nfs/dbraw/zinc/29/71/83/983297183.db2.gz PINAXBVTVKJPRE-UHFFFAOYSA-N -1 1 243.274 1.108 20 0 BDADMM c1c(NC2CC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543458 983297184 /nfs/dbraw/zinc/29/71/84/983297184.db2.gz PINAXBVTVKJPRE-UHFFFAOYSA-N -1 1 243.274 1.108 20 0 BDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CC12CCC2 ZINC001593551077 983300360 /nfs/dbraw/zinc/30/03/60/983300360.db2.gz GKQZMYMFRAUDFR-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CC12CCC2 ZINC001593551077 983300366 /nfs/dbraw/zinc/30/03/66/983300366.db2.gz GKQZMYMFRAUDFR-MRVPVSSYSA-N -1 1 243.274 1.011 20 0 BDADMM CCc1nc([C@@H](C)S[C@H](C)C(=O)[O-])n[nH]1 ZINC001593647497 983324227 /nfs/dbraw/zinc/32/42/27/983324227.db2.gz KOBTYHPCYJGUNR-PHDIDXHHSA-N -1 1 229.305 1.634 20 0 BDADMM O=C(Nc1ccc(O)cc1O)c1ccc([O-])cn1 ZINC001593700771 983341788 /nfs/dbraw/zinc/34/17/88/983341788.db2.gz JXZSVFCOYVFMJJ-UHFFFAOYSA-N -1 1 246.222 1.451 20 0 BDADMM CN(CCC(=O)[O-])Cc1cnc(C2CC2)o1 ZINC001593740028 983352931 /nfs/dbraw/zinc/35/29/31/983352931.db2.gz IDABSMLCVMRAHR-UHFFFAOYSA-N -1 1 224.260 1.459 20 0 BDADMM CCN(CC)Cc1snc(OC)c1C(=O)[O-] ZINC001596277206 983697783 /nfs/dbraw/zinc/69/77/83/983697783.db2.gz AJXPFPOUHWEAAI-UHFFFAOYSA-N -1 1 244.316 1.692 20 0 BDADMM CCN(CCO)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001596340726 983789154 /nfs/dbraw/zinc/78/91/54/983789154.db2.gz MMKHDGOEINEGJS-AATRIKPKSA-N -1 1 239.271 1.192 20 0 BDADMM CCS(=O)(=O)[N-]c1cccc(F)c1C(C)=O ZINC001253360807 984129294 /nfs/dbraw/zinc/12/92/94/984129294.db2.gz BOQXBWTWOIDWTR-UHFFFAOYSA-N -1 1 245.275 1.790 20 0 BDADMM Cc1cc(-c2noc(-c3cn[n-]n3)n2)cc(C)n1 ZINC001212799955 984169374 /nfs/dbraw/zinc/16/93/74/984169374.db2.gz GWRKYKAXALTJTN-UHFFFAOYSA-N -1 1 242.242 1.534 20 0 BDADMM Cc1ccc(-c2noc(-c3cn[n-]n3)n2)nc1 ZINC001212800196 984171975 /nfs/dbraw/zinc/17/19/75/984171975.db2.gz VLZXZKNIRXRSMX-UHFFFAOYSA-N -1 1 228.215 1.225 20 0 BDADMM O=C(Nc1c[nH]nn1)c1ccc(Cl)c([O-])c1 ZINC001447928571 984801592 /nfs/dbraw/zinc/80/15/92/984801592.db2.gz VOKGZGAKNIAZHI-UHFFFAOYSA-N -1 1 238.634 1.416 20 0 BDADMM CCCCC(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001449016309 984825264 /nfs/dbraw/zinc/82/52/64/984825264.db2.gz QPOGEWIUKIRSBQ-UHFFFAOYSA-N -1 1 239.323 1.521 20 0 BDADMM C/C(=C/CN[C@H](CCO)c1ccco1)C(=O)[O-] ZINC001588981583 984864380 /nfs/dbraw/zinc/86/43/80/984864380.db2.gz ASEHDYVGWUHNLN-ZUYFITGHSA-N -1 1 239.271 1.324 20 0 BDADMM CC(C)[C@H](NCc1nn(C)cc1Cl)C(=O)[O-] ZINC001588960839 984948258 /nfs/dbraw/zinc/94/82/58/984948258.db2.gz LEJMDORHEXUWPJ-VIFPVBQESA-N -1 1 245.710 1.272 20 0 BDADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1cnccn1 ZINC001452689425 984951859 /nfs/dbraw/zinc/95/18/59/984951859.db2.gz FZNPLVDYKXUBBI-MRVPVSSYSA-N -1 1 244.254 1.068 20 0 BDADMM COC(=O)CC(=O)Nc1cccc(F)c1[O-] ZINC001454752231 985042616 /nfs/dbraw/zinc/04/26/16/985042616.db2.gz DOHOVRVZBKAJMW-UHFFFAOYSA-N -1 1 227.191 1.033 20 0 BDADMM Cc1nc[nH]c1CC(=O)Nc1cccc(F)c1[O-] ZINC001454774945 985047018 /nfs/dbraw/zinc/04/70/18/985047018.db2.gz UJYLKJPOOFMBDS-UHFFFAOYSA-N -1 1 249.245 1.744 20 0 BDADMM [O-]c1c(F)cc(F)cc1-c1cncn2cnnc12 ZINC001243504422 985057860 /nfs/dbraw/zinc/05/78/60/985057860.db2.gz MRLATZAZDBCZMH-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM CC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589040829 985094609 /nfs/dbraw/zinc/09/46/09/985094609.db2.gz FKUCCNNCAQTATA-JTQLQIEISA-N -1 1 213.277 1.152 20 0 BDADMM [O-]c1c(F)cc(F)cc1-c1cncc2nncn21 ZINC001243503384 985063075 /nfs/dbraw/zinc/06/30/75/985063075.db2.gz AUEADMYYJUUTLC-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc([O-])cn1 ZINC001455593613 985082932 /nfs/dbraw/zinc/08/29/32/985082932.db2.gz DWHUQOIPPRHKQY-PWSUYJOCSA-N -1 1 248.282 1.085 20 0 BDADMM Cn1cc(-c2ccc(Cl)c([O-])c2)cnc1=O ZINC001243580471 985138159 /nfs/dbraw/zinc/13/81/59/985138159.db2.gz FDFRFVNBQRKHRP-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM Cn1nccc(-c2ccc(Cl)c([O-])c2)c1=O ZINC001243582985 985141205 /nfs/dbraw/zinc/14/12/05/985141205.db2.gz WFVOIGFMONFBFO-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM C[C@@H](CC(=O)Nc1c[n-][nH]c1=O)c1ccco1 ZINC001457824167 985239436 /nfs/dbraw/zinc/23/94/36/985239436.db2.gz UTPZJWLYQRWFIO-ZETCQYMHSA-N -1 1 235.243 1.841 20 0 BDADMM Cc1cccc(CC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001457824189 985239463 /nfs/dbraw/zinc/23/94/63/985239463.db2.gz VFRXHKUOIJXZJD-UHFFFAOYSA-N -1 1 231.255 1.605 20 0 BDADMM CC(C)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cn1 ZINC001457818659 985240819 /nfs/dbraw/zinc/24/08/19/985240819.db2.gz DHYIBBSRTFOVEG-UHFFFAOYSA-N -1 1 246.270 1.886 20 0 BDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)C[C@@H]1O ZINC001594501112 985683900 /nfs/dbraw/zinc/68/39/00/985683900.db2.gz LVAWAGWNKGZNPI-FKTZTGRPSA-N -1 1 241.312 1.186 20 0 BDADMM COC(=O)c1cnc(-c2cc(C)ccc2[O-])nc1 ZINC001244401965 986066419 /nfs/dbraw/zinc/06/64/19/986066419.db2.gz MOWCKIIZGKTCPQ-UHFFFAOYSA-N -1 1 244.250 1.944 20 0 BDADMM O=C([O-])/C=C\c1ccc(CN[C@H]2CCOC2)o1 ZINC001262159414 986536232 /nfs/dbraw/zinc/53/62/32/986536232.db2.gz UYHBCSXXOQAWGX-TYRPZCRBSA-N -1 1 237.255 1.256 20 0 BDADMM CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001463944893 986592589 /nfs/dbraw/zinc/59/25/89/986592589.db2.gz COKKMPPHWVGFKT-UHFFFAOYSA-N -1 1 245.234 1.824 20 0 BDADMM COCCCCCNC(=O)c1ccc([O-])cn1 ZINC001464595960 986642259 /nfs/dbraw/zinc/64/22/59/986642259.db2.gz HIPXETVIHGDJAA-UHFFFAOYSA-N -1 1 238.287 1.334 20 0 BDADMM CC1(NC(=O)c2cccc([O-])c2F)CC1 ZINC001465168245 986695387 /nfs/dbraw/zinc/69/53/87/986695387.db2.gz WHMWGIYSSNXGMB-UHFFFAOYSA-N -1 1 209.220 1.814 20 0 BDADMM O=C(NC1CC=CC1)c1ccc(F)c([O-])c1 ZINC001469828698 987000222 /nfs/dbraw/zinc/00/02/22/987000222.db2.gz TXKSRSDQSPPGTP-UHFFFAOYSA-N -1 1 221.231 1.980 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CC[C@@H](CF)C1 ZINC001471542056 987095995 /nfs/dbraw/zinc/09/59/95/987095995.db2.gz KUWCGMYFWCWUBT-QMMMGPOBSA-N -1 1 241.237 1.963 20 0 BDADMM Cc1cc(=O)n(C(=O)c2cc(C3CC3)n[nH]2)[n-]1 ZINC001245928305 987190021 /nfs/dbraw/zinc/19/00/21/987190021.db2.gz SJZZHFNFRBMURM-UHFFFAOYSA-N -1 1 232.243 1.186 20 0 BDADMM Nc1ccc(-c2cc(=O)n(CCCCO)[n-]2)cc1 ZINC001245937835 987206927 /nfs/dbraw/zinc/20/69/27/987206927.db2.gz PNAPXUXREYDNKG-UHFFFAOYSA-N -1 1 247.298 1.610 20 0 BDADMM COCCc1cc(=O)n(-c2ccc(OC)cc2)[n-]1 ZINC001245940626 987211503 /nfs/dbraw/zinc/21/15/03/987211503.db2.gz VWZMONUCIQZUCY-UHFFFAOYSA-N -1 1 248.282 1.775 20 0 BDADMM C[C@@H](C(=O)Nc1c[n-][nH]c1=O)C1CCCC1 ZINC001472570809 987247603 /nfs/dbraw/zinc/24/76/03/987247603.db2.gz PMRLGHNQYNGHSE-SSDOTTSWSA-N -1 1 223.276 1.880 20 0 BDADMM CC(=O)c1cc(-c2nnc([C@H]3C[C@H]3C)o2)[nH]n1 ZINC001256617329 987249043 /nfs/dbraw/zinc/24/90/43/987249043.db2.gz NBRMWPYGKLZEJQ-VDTYLAMSSA-N -1 1 232.243 1.786 20 0 BDADMM CC(=O)c1cc(-c2nnc([C@H]3C[C@H]3C)o2)n[n-]1 ZINC001256617329 987249047 /nfs/dbraw/zinc/24/90/47/987249047.db2.gz NBRMWPYGKLZEJQ-VDTYLAMSSA-N -1 1 232.243 1.786 20 0 BDADMM CS[C@H]1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001323425258 988528308 /nfs/dbraw/zinc/52/83/08/988528308.db2.gz IAHKNCZJHZBYBL-YUMQZZPRSA-N -1 1 242.348 1.226 20 0 BDADMM Cn1ccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001118846818 988650125 /nfs/dbraw/zinc/65/01/25/988650125.db2.gz RKWWJJZKXCIUHP-LLVKDONJSA-N -1 1 226.251 1.024 20 0 BDADMM CCCN1C[C@H](C(=O)[N-]OC(C)(C)C)CC1=O ZINC001325195654 989117530 /nfs/dbraw/zinc/11/75/30/989117530.db2.gz AXAGUCINHKTLSH-SECBINFHSA-N -1 1 242.319 1.091 20 0 BDADMM Cc1c[nH]c(CN(CCC(=O)[O-])CC2CC2)n1 ZINC001119534786 989137112 /nfs/dbraw/zinc/13/71/12/989137112.db2.gz KOEUHRZLUQJXLZ-UHFFFAOYSA-N -1 1 237.303 1.405 20 0 BDADMM CC(C)CSCCCOCc1nn[n-]n1 ZINC001119607034 989230478 /nfs/dbraw/zinc/23/04/78/989230478.db2.gz RTAMHTFNJGNOFR-UHFFFAOYSA-N -1 1 230.337 1.496 20 0 BDADMM Cc1ccc(COCc2nn[n-]n2)c(C)c1 ZINC001119607331 989232337 /nfs/dbraw/zinc/23/23/37/989232337.db2.gz XLHPCXVIYBPLMZ-UHFFFAOYSA-N -1 1 218.260 1.533 20 0 BDADMM O=S(=O)([N-]CCCC(F)F)c1ccco1 ZINC001119674431 989325667 /nfs/dbraw/zinc/32/56/67/989325667.db2.gz DFYOLNHRESYEHJ-UHFFFAOYSA-N -1 1 239.243 1.603 20 0 BDADMM Cc1nnc([C@@H](C)[N-]C(=O)C(C)(F)F)o1 ZINC001326298985 989474866 /nfs/dbraw/zinc/47/48/66/989474866.db2.gz SWKVYSJDDWGUEC-SCSAIBSYSA-N -1 1 219.191 1.210 20 0 BDADMM Cc1ccc(CN(C)C(=O)c2cnncc2[O-])o1 ZINC001120504948 989685845 /nfs/dbraw/zinc/68/58/45/989685845.db2.gz WDFDFBRNHQFPTM-UHFFFAOYSA-N -1 1 247.254 1.356 20 0 BDADMM CC1CCC(N(C)C(=O)c2cnncc2[O-])CC1 ZINC001120616061 989786712 /nfs/dbraw/zinc/78/67/12/989786712.db2.gz VJEMVCPLENRJBX-UHFFFAOYSA-N -1 1 249.314 1.833 20 0 BDADMM CCn1ccc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001597905339 989796054 /nfs/dbraw/zinc/79/60/54/989796054.db2.gz YGUYYEBNTMWMOW-MWLCHTKSSA-N -1 1 237.303 1.056 20 0 BDADMM CC(C)(C)/C=C/C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001521813075 989804745 /nfs/dbraw/zinc/80/47/45/989804745.db2.gz ANXOXSWWXOPUAX-OTQAPUNGSA-N -1 1 249.318 1.118 20 0 BDADMM Cc1nc(NC(=O)c2ccc(C(F)F)o2)n[nH]1 ZINC001538229831 990526430 /nfs/dbraw/zinc/52/64/30/990526430.db2.gz KCZVFBHRPUIHOL-UHFFFAOYSA-N -1 1 242.185 1.896 20 0 BDADMM CC[C@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001123465953 990586309 /nfs/dbraw/zinc/58/63/09/990586309.db2.gz YWSYZGKFRNBJJS-YFKPBYRVSA-N -1 1 241.316 1.308 20 0 BDADMM CC(C)CNC(=O)c1cccc([O-])c1F 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/nfs/dbraw/zinc/09/04/08/587090408.db2.gz KNFDHFBPQUKRHQ-YUMQZZPRSA-N -1 1 245.290 1.257 20 0 BDADMM CCn1cnnc1[N-]C(=O)c1cc(Cl)no1 ZINC000822783796 587185844 /nfs/dbraw/zinc/18/58/44/587185844.db2.gz RIUJTLKDGRUAEI-UHFFFAOYSA-N -1 1 241.638 1.192 20 0 BDADMM CO[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000822971432 587196388 /nfs/dbraw/zinc/19/63/88/587196388.db2.gz DCAJLWMEIXSANC-HZGVNTEJSA-N -1 1 243.209 1.644 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(NCCC2CCC2)n1 ZINC000823809030 587241068 /nfs/dbraw/zinc/24/10/68/587241068.db2.gz HWOYMYZHORDNPS-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(NCCC2CCC2)n1 ZINC000823809030 587241069 /nfs/dbraw/zinc/24/10/69/587241069.db2.gz HWOYMYZHORDNPS-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM C[C@@H]1CN(CCCF)CCN1C(=O)[O-] ZINC000826057133 587349916 /nfs/dbraw/zinc/34/99/16/587349916.db2.gz HOUYQFMGHSRYDK-MRVPVSSYSA-N -1 1 204.245 1.030 20 0 BDADMM Cc1n[nH]cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826322207 587352483 /nfs/dbraw/zinc/35/24/83/587352483.db2.gz CNCRYJJIIRBOHT-UHFFFAOYSA-N -1 1 242.246 1.037 20 0 BDADMM CC(C)c1noc(CNC(C)(C)CC(=O)[O-])n1 ZINC000827180530 587372001 /nfs/dbraw/zinc/37/20/01/587372001.db2.gz WGGDQKPWSBRDNT-UHFFFAOYSA-N -1 1 241.291 1.536 20 0 BDADMM C[C@H](CN(C)Cc1cnc(Cl)s1)C(=O)[O-] ZINC000827443088 587381880 /nfs/dbraw/zinc/38/18/80/587381880.db2.gz YMUCJYQIGBEQFW-ZCFIWIBFSA-N -1 1 248.735 1.949 20 0 BDADMM CN(C(=O)[O-])[C@H]1CCN(Cc2ccccn2)C1 ZINC000827891012 587408337 /nfs/dbraw/zinc/40/83/37/587408337.db2.gz YYCGLWQAJXODQV-NSHDSACASA-N -1 1 235.287 1.266 20 0 BDADMM CCCCC[C@H](NC(=O)C(F)(F)F)C(=O)[O-] ZINC000829312391 587492544 /nfs/dbraw/zinc/49/25/44/587492544.db2.gz VVLJRWDQSUOCLK-LURJTMIESA-N -1 1 241.209 1.698 20 0 BDADMM CC[C@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000829609521 587505851 /nfs/dbraw/zinc/50/58/51/587505851.db2.gz LPWOFYKWNGGTLI-YFKPBYRVSA-N -1 1 237.712 1.140 20 0 BDADMM CC[C@H](C)N(OC)C(=O)c1ncc(C)cc1[O-] ZINC000830473694 587553608 /nfs/dbraw/zinc/55/36/08/587553608.db2.gz HKYWGDJSJLEMRQ-VIFPVBQESA-N -1 1 238.287 1.898 20 0 BDADMM Cc1cccc(CN2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000830499350 587554244 /nfs/dbraw/zinc/55/42/44/587554244.db2.gz ZTFFFHPEGFAJHF-GFCCVEGCSA-N -1 1 249.314 1.622 20 0 BDADMM Cc1ccnc(NCC[C@@H](C)NC(=O)[O-])c1 ZINC000830611540 587559868 /nfs/dbraw/zinc/55/98/68/587559868.db2.gz LTFUPTQVVBETCU-SECBINFHSA-N -1 1 223.276 1.848 20 0 BDADMM O=C([O-])N1CC(NCc2cc3ccccc3o2)C1 ZINC000831852557 587634539 /nfs/dbraw/zinc/63/45/39/587634539.db2.gz QGDKREBFPMINBH-UHFFFAOYSA-N -1 1 246.266 1.885 20 0 BDADMM O=C([O-])N1CC(NCc2cccs2)C1 ZINC000831852393 587634592 /nfs/dbraw/zinc/63/45/92/587634592.db2.gz PFRSTCLHEADWOD-UHFFFAOYSA-N -1 1 212.274 1.200 20 0 BDADMM O=C([O-])NCCNCc1cccc(F)c1F ZINC000832657979 587674923 /nfs/dbraw/zinc/67/49/23/587674923.db2.gz HYAVLDXLJJOJGS-UHFFFAOYSA-N -1 1 230.214 1.322 20 0 BDADMM Cc1noc([C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000833022066 587697612 /nfs/dbraw/zinc/69/76/12/587697612.db2.gz XOWUNMYJCDBWLJ-BKPPORCPSA-N -1 1 239.275 1.092 20 0 BDADMM O=C([O-])c1occc1CSc1cn[nH]n1 ZINC000833345872 587707068 /nfs/dbraw/zinc/70/70/68/587707068.db2.gz FPIQSFYLAQKKOE-UHFFFAOYSA-N -1 1 225.229 1.388 20 0 BDADMM O=C([O-])c1nn(CN2CCCC2)c2ccccc21 ZINC000833346685 587707070 /nfs/dbraw/zinc/70/70/70/587707070.db2.gz NEAXDKHIWLIOOV-UHFFFAOYSA-N -1 1 245.282 1.788 20 0 BDADMM C/C(=C\CN1CC[C@H](C)[C@H](F)C1)C(=O)[O-] ZINC000833383092 587712536 /nfs/dbraw/zinc/71/25/36/587712536.db2.gz MRXMPFDEFGGCMP-ICDUHSAJSA-N -1 1 215.268 1.697 20 0 BDADMM CC(C)(C)OC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833434437 587714840 /nfs/dbraw/zinc/71/48/40/587714840.db2.gz VUWMAHAHRQMTRV-SECBINFHSA-N -1 1 243.303 1.267 20 0 BDADMM CCOCCO[N-]C(=O)[C@H](C)c1ccncc1 ZINC000867491033 587716785 /nfs/dbraw/zinc/71/67/85/587716785.db2.gz GNKPDXGZSFNKAD-SNVBAGLBSA-N -1 1 238.287 1.269 20 0 BDADMM CCc1cc(CNc2cccc(C(=O)[O-])n2)n[nH]1 ZINC000833670812 587727208 /nfs/dbraw/zinc/72/72/08/587727208.db2.gz AUCXDJRCRSYGCA-UHFFFAOYSA-N -1 1 246.270 1.677 20 0 BDADMM COCCN(C)Cc1ccc(NC(=O)[O-])nc1 ZINC000833883104 587737860 /nfs/dbraw/zinc/73/78/60/587737860.db2.gz FLLKLYPEQPBZIA-UHFFFAOYSA-N -1 1 239.275 1.250 20 0 BDADMM O=C([O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834104483 587745653 /nfs/dbraw/zinc/74/56/53/587745653.db2.gz LCENPZGQCKMLHY-MRVPVSSYSA-N -1 1 236.275 1.540 20 0 BDADMM O=C([O-])N[C@@H](CNCc1nccs1)C1CC1 ZINC000834151678 587747548 /nfs/dbraw/zinc/74/75/48/587747548.db2.gz VOHCZYNHRODKJB-QMMMGPOBSA-N -1 1 241.316 1.279 20 0 BDADMM O=C([O-])N[C@H]1CCN(Cc2ccsc2)C1 ZINC000834189636 587748464 /nfs/dbraw/zinc/74/84/64/587748464.db2.gz NRNKWVAIOVQGOW-VIFPVBQESA-N -1 1 226.301 1.590 20 0 BDADMM CC(C)(CO)O[N-]C(=O)C1(C2CCC2)CCC1 ZINC000836805501 587838070 /nfs/dbraw/zinc/83/80/70/587838070.db2.gz BSYVVHZTGRSUOH-UHFFFAOYSA-N -1 1 241.331 1.776 20 0 BDADMM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cccs1 ZINC000836904700 587842768 /nfs/dbraw/zinc/84/27/68/587842768.db2.gz FWPNBQBJUQKLGV-SNVBAGLBSA-N -1 1 243.328 1.355 20 0 BDADMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867244021 587908190 /nfs/dbraw/zinc/90/81/90/587908190.db2.gz IRVRCDQJGXKXQL-PHDIDXHHSA-N -1 1 248.254 1.047 20 0 BDADMM Cc1noc(CO[N-]C(=O)CC(C)(C)C)n1 ZINC000842059773 587994084 /nfs/dbraw/zinc/99/40/84/587994084.db2.gz CSZSEKJXMLPKGL-UHFFFAOYSA-N -1 1 227.264 1.362 20 0 BDADMM CC[C@H](C(=O)[N-]OC/C=C\Cl)[C@@H](C)O ZINC000842268785 588009253 /nfs/dbraw/zinc/00/92/53/588009253.db2.gz YQXYFKDNKUMLAF-YKCGFPGDSA-N -1 1 221.684 1.194 20 0 BDADMM CC/C=C(/F)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000867381453 588223139 /nfs/dbraw/zinc/22/31/39/588223139.db2.gz FKCMFYAVTYIBDM-QAZRXNLGSA-N -1 1 241.270 1.025 20 0 BDADMM O=C([N-]OCc1ccc(F)cc1)C1CSC1 ZINC000867394691 588243586 /nfs/dbraw/zinc/24/35/86/588243586.db2.gz DUKXXDMLNQBBJD-UHFFFAOYSA-N -1 1 241.287 1.737 20 0 BDADMM C[Si](C)(C)CCCC(=O)Nc1nnn[n-]1 ZINC000847505511 588314795 /nfs/dbraw/zinc/31/47/95/588314795.db2.gz QJBMDHWAGSAMNV-UHFFFAOYSA-N -1 1 227.344 1.257 20 0 BDADMM C[Si](C)(C)CCCC(=O)Nc1nn[n-]n1 ZINC000847505511 588314797 /nfs/dbraw/zinc/31/47/97/588314797.db2.gz QJBMDHWAGSAMNV-UHFFFAOYSA-N -1 1 227.344 1.257 20 0 BDADMM CC1(C)CN(CC(=O)[N-]OC2CCCC2)C1 ZINC000847663049 588324701 /nfs/dbraw/zinc/32/47/01/588324701.db2.gz QVGMGNFYXIJSOE-UHFFFAOYSA-N -1 1 226.320 1.319 20 0 BDADMM O=S(=O)([N-][C@H]1C=CCC1)c1c[nH]nc1Cl ZINC000849428961 588478159 /nfs/dbraw/zinc/47/81/59/588478159.db2.gz YWRFPWALKPIZQM-LURJTMIESA-N -1 1 247.707 1.060 20 0 BDADMM CC[C@H](CO)C(=O)Nc1cccc(F)c1[O-] ZINC000863009823 589251518 /nfs/dbraw/zinc/25/15/18/589251518.db2.gz LCLQKJHNOSWXIW-SSDOTTSWSA-N -1 1 227.235 1.488 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000868544852 589563674 /nfs/dbraw/zinc/56/36/74/589563674.db2.gz KQTJMXAPFBCRQP-ZOQUXTDFSA-N -1 1 235.287 1.654 20 0 BDADMM CC/C=C(\F)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000868972197 589584084 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GDCGYXMCWZMSAC-UHFFFAOYSA-N -1 1 239.323 1.219 20 0 BDADMM Nc1ccc(-c2nc(C3CC3)no2)c([O-])c1 ZINC000021515002 590191819 /nfs/dbraw/zinc/19/18/19/590191819.db2.gz IRZXFVFURNMVKZ-UHFFFAOYSA-N -1 1 217.228 1.902 20 0 BDADMM CC[C@H](C)CON=c1cc(C(=O)OC)nc[n-]1 ZINC000882393307 591342902 /nfs/dbraw/zinc/34/29/02/591342902.db2.gz YOSZHZYYQCVXBR-QMMMGPOBSA-N -1 1 239.275 1.653 20 0 BDADMM CC[C@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131280356 591581766 /nfs/dbraw/zinc/58/17/66/591581766.db2.gz QGOWLWKPSUJASJ-LBPRGKRZSA-N -1 1 235.283 1.471 20 0 BDADMM CO[N-]C(=O)[C@H](N)c1ccccc1C(F)(F)F ZINC000884175457 591866240 /nfs/dbraw/zinc/86/62/40/591866240.db2.gz UMJDEERCRADZBH-MRVPVSSYSA-N -1 1 248.204 1.383 20 0 BDADMM CO[N-]C(=O)[C@@H](N)c1ccccc1C(F)(F)F ZINC000884175458 591866260 /nfs/dbraw/zinc/86/62/60/591866260.db2.gz UMJDEERCRADZBH-QMMMGPOBSA-N -1 1 248.204 1.383 20 0 BDADMM O=c1nc(N2C[C@@H]3C[C@@H]3C2)cc(Cl)[n-]1 ZINC000884591619 591990589 /nfs/dbraw/zinc/99/05/89/591990589.db2.gz VWOLGEATSWZGLX-OLQVQODUSA-N -1 1 211.652 1.292 20 0 BDADMM C[C@H](CNc1nc2[nH][n-]cc-2c(=O)n1)C(C)(C)C ZINC000884597831 591991868 /nfs/dbraw/zinc/99/18/68/591991868.db2.gz LJNIHBZOIBCOPW-SSDOTTSWSA-N -1 1 249.318 1.526 20 0 BDADMM O=c1nc(N[C@]23C[C@H]2COC3)cc(Cl)[n-]1 ZINC000884600990 591992321 /nfs/dbraw/zinc/99/23/21/591992321.db2.gz YALIICRVPKFUBT-CDUCUWFYSA-N -1 1 227.651 1.036 20 0 BDADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccns1 ZINC000884976168 592032035 /nfs/dbraw/zinc/03/20/35/592032035.db2.gz KWWJHBKRHSECCM-HTQZYQBOSA-N -1 1 248.373 1.856 20 0 BDADMM O=S(=O)([N-]C(CF)CF)c1cccs1 ZINC000885421878 592078381 /nfs/dbraw/zinc/07/83/81/592078381.db2.gz LMKCYAMHJWCTNS-UHFFFAOYSA-N -1 1 241.284 1.334 20 0 BDADMM O=C([N-]C[C@@H]1CC2(CCC2)CO1)C(F)(F)F ZINC000885635089 592088595 /nfs/dbraw/zinc/08/85/95/592088595.db2.gz VNGBFJBKIJICQI-ZETCQYMHSA-N -1 1 237.221 1.624 20 0 BDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cncc([O-])c1 ZINC000889605383 592627337 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BDADMM CCc1oc(CN[C@@H]2CC[C@H]2O)cc1C(=O)[O-] ZINC001605890357 979927453 /nfs/dbraw/zinc/92/74/53/979927453.db2.gz FJLGYJYPQGCBCH-NXEZZACHSA-N -1 1 239.271 1.153 20 0 BDADMM Cc1nc(N[C@H](C)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001606077914 979952582 /nfs/dbraw/zinc/95/25/82/979952582.db2.gz BWTJIFCGXAOJEC-ZCFIWIBFSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1nc(N[C@H](C)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001606077914 979952588 /nfs/dbraw/zinc/95/25/88/979952588.db2.gz BWTJIFCGXAOJEC-ZCFIWIBFSA-N -1 1 245.290 1.176 20 0 BDADMM Cn1cc(C[N@@H+](C)Cc2ccoc2)cc1C(=O)[O-] ZINC001606173231 979967306 /nfs/dbraw/zinc/96/73/06/979967306.db2.gz IUGNYWCCJVQZKI-UHFFFAOYSA-N -1 1 248.282 1.948 20 0 BDADMM CN(Cc1ccoc1)Cc1cc(C(=O)[O-])n(C)c1 ZINC001606173231 979967316 /nfs/dbraw/zinc/96/73/16/979967316.db2.gz IUGNYWCCJVQZKI-UHFFFAOYSA-N -1 1 248.282 1.948 20 0 BDADMM Cl/C=C/CNc1ccnc(-c2nnn[n-]2)c1 ZINC001606185261 979969997 /nfs/dbraw/zinc/96/99/97/979969997.db2.gz QBNHOQLFKDQWER-HNQUOIGGSA-N -1 1 236.666 1.426 20 0 BDADMM Cl/C=C/CNc1ccnc(-c2nn[n-]n2)c1 ZINC001606185261 979970010 /nfs/dbraw/zinc/97/00/10/979970010.db2.gz QBNHOQLFKDQWER-HNQUOIGGSA-N -1 1 236.666 1.426 20 0 BDADMM CCC(F)(F)CN[C@](C)(CCF)C(=O)[O-] ZINC001595224548 980069046 /nfs/dbraw/zinc/06/90/46/980069046.db2.gz CGUPPADGDIYNTM-MRVPVSSYSA-N -1 1 227.226 1.824 20 0 BDADMM Cc1noc([C@H](C)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001608021127 980152713 /nfs/dbraw/zinc/15/27/13/980152713.db2.gz JSKBKTIGZWYRRW-CNUIFLNQSA-N -1 1 239.275 1.282 20 0 BDADMM O=C([N-]N1C[C@@H]2CCC[C@H]2C1)C(F)F ZINC001608153488 980167887 /nfs/dbraw/zinc/16/78/87/980167887.db2.gz GRZIIMKMPMBZIL-BQBZGAKWSA-N -1 1 204.220 1.015 20 0 BDADMM CCCC[C@H](C(=O)OCc1nn[n-]n1)C(C)C ZINC001343951986 980285844 /nfs/dbraw/zinc/28/58/44/980285844.db2.gz BWDXQQVGRORGPZ-VIFPVBQESA-N -1 1 240.307 1.705 20 0 BDADMM O=C([O-])[C@@H]1CC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC001608803721 980289968 /nfs/dbraw/zinc/28/99/68/980289968.db2.gz OKGZNAPPFGXIJO-RNJXMRFFSA-N -1 1 237.259 1.072 20 0 BDADMM CC(C)c1ccccc1C(=O)OCc1nn[n-]n1 ZINC001343955138 980292035 /nfs/dbraw/zinc/29/20/35/980292035.db2.gz WQUVAMQZJVWPCY-UHFFFAOYSA-N -1 1 246.270 1.680 20 0 BDADMM O=C(NCC1CC(=O)C1)c1ccc([O-])cc1F ZINC001186337680 980365762 /nfs/dbraw/zinc/36/57/62/980365762.db2.gz PTPVSZPQISVSOG-UHFFFAOYSA-N -1 1 237.230 1.240 20 0 BDADMM CC/C=C/[N-]S(=O)(=O)c1ccco1 ZINC001186874926 980449393 /nfs/dbraw/zinc/44/93/93/980449393.db2.gz HZOWQQBXHKNQNJ-ZZXKWVIFSA-N -1 1 201.247 1.482 20 0 BDADMM O=C(OCc1nn[n-]n1)[C@@H]1C[C@H]1c1ccccc1 ZINC001345158007 980570683 /nfs/dbraw/zinc/57/06/83/980570683.db2.gz VOCPWODUBVGYLA-VHSXEESVSA-N -1 1 244.254 1.047 20 0 BDADMM CC[C@@H](CC(C)C)C(=O)OCc1nn[n-]n1 ZINC001345163637 980573284 /nfs/dbraw/zinc/57/32/84/980573284.db2.gz WSTTVSTVESGPFJ-QMMMGPOBSA-N -1 1 226.280 1.315 20 0 BDADMM C[C@@H](NC(=O)c1ccncc1[O-])c1cncnc1 ZINC001188639211 980687093 /nfs/dbraw/zinc/68/70/93/980687093.db2.gz WBWDAZVDZNNRDM-MRVPVSSYSA-N -1 1 244.254 1.068 20 0 BDADMM CCO[N-]C(=O)[C@H](CCCO)c1ccccc1 ZINC001346127189 980763676 /nfs/dbraw/zinc/76/36/76/980763676.db2.gz FGCZTQCBPJCPKE-GFCCVEGCSA-N -1 1 237.299 1.610 20 0 BDADMM CC[C@H]1CCCN1C(=O)c1cnncc1[O-] ZINC001346799542 980908251 /nfs/dbraw/zinc/90/82/51/980908251.db2.gz SUEJHKFMPDWACJ-QMMMGPOBSA-N -1 1 221.260 1.197 20 0 BDADMM C[C@@H]1[C@H](C)CN(C(=O)c2cnncc2[O-])[C@H]1C ZINC001347141606 980988741 /nfs/dbraw/zinc/98/87/41/980988741.db2.gz CEOGDMZILXJWFY-HLTSFMKQSA-N -1 1 235.287 1.299 20 0 BDADMM Cn1nccc1Cc1cc(F)c([O-])c(F)c1 ZINC001250436048 981086637 /nfs/dbraw/zinc/08/66/37/981086637.db2.gz HBUQKJVBOYXGDK-UHFFFAOYSA-N -1 1 224.210 1.995 20 0 BDADMM N=CNC(=O)c1cc([O-])cc(F)c1F ZINC001192678852 981181082 /nfs/dbraw/zinc/18/10/82/981181082.db2.gz MRFKJPNHTWUCJE-UHFFFAOYSA-N -1 1 200.144 1.007 20 0 BDADMM O=C(c1cc([O-])cc(F)c1F)N1C[C@@H]2C[C@@H]2C1 ZINC001192661475 981184006 /nfs/dbraw/zinc/18/40/06/981184006.db2.gz YTSHDUMJNXMVDH-KNVOCYPGSA-N -1 1 239.221 1.762 20 0 BDADMM CC/C(C)=C(/C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347974069 981232669 /nfs/dbraw/zinc/23/26/69/981232669.db2.gz HYKYMGLVIIISME-QROTZFDESA-N -1 1 249.318 1.262 20 0 BDADMM COCCOC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001193419229 981327151 /nfs/dbraw/zinc/32/71/51/981327151.db2.gz PVXQWLJIOULJCB-UHFFFAOYSA-N -1 1 247.197 1.865 20 0 BDADMM Cc1cnc([C@@H](C)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC001349581133 981584514 /nfs/dbraw/zinc/58/45/14/981584514.db2.gz LEGZZKKLFAMFJR-VXNVDRBHSA-N -1 1 226.276 1.697 20 0 BDADMM Nc1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240695279 981604152 /nfs/dbraw/zinc/60/41/52/981604152.db2.gz GOZXJPZXKDIOBJ-UHFFFAOYSA-N -1 1 205.192 1.571 20 0 BDADMM Nc1nc2nc[nH]c2c(-c2cc(F)ccc2[O-])n1 ZINC001240696562 981608466 /nfs/dbraw/zinc/60/84/66/981608466.db2.gz RQEKCXXTTXABBZ-UHFFFAOYSA-N -1 1 245.217 1.398 20 0 BDADMM Cc1cnn(C)c1NC(=O)c1ccc([O-])cn1 ZINC001584317389 981863910 /nfs/dbraw/zinc/86/39/10/981863910.db2.gz DKASIJSZPVMCRZ-UHFFFAOYSA-N -1 1 232.243 1.081 20 0 BDADMM CCCC[C@@H](Sc1c(C)[nH][nH]c1=O)C(=O)[O-] ZINC001595651991 982028718 /nfs/dbraw/zinc/02/87/18/982028718.db2.gz NKSOZCCORWQTJW-SFYZADRCSA-N -1 1 244.316 1.237 20 0 BDADMM COC(=O)c1nc[nH]c1NC(=O)c1cocc1C ZINC001587268047 982058721 /nfs/dbraw/zinc/05/87/21/982058721.db2.gz ALHIZOODSSEGHF-UHFFFAOYSA-N -1 1 249.226 1.350 20 0 BDADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])n1cccn1 ZINC001587389315 982070655 /nfs/dbraw/zinc/07/06/55/982070655.db2.gz GZGLXPPHRFSFDD-MRVPVSSYSA-N -1 1 249.245 1.928 20 0 BDADMM O=C(CCCCCO)[N-]OCC(F)(F)F ZINC001587991193 982107453 /nfs/dbraw/zinc/10/74/53/982107453.db2.gz XQKYBGDZNPSNHT-UHFFFAOYSA-N -1 1 229.198 1.149 20 0 BDADMM C1=C(COc2cnc(-c3nn[n-]n3)nc2)CCC1 ZINC001588384336 982153085 /nfs/dbraw/zinc/15/30/85/982153085.db2.gz HBIPBYNIWNIZKF-UHFFFAOYSA-N -1 1 244.258 1.146 20 0 BDADMM Cc1ccc([O-])c(C(=O)Nc2c[nH]ccc2=O)n1 ZINC001195322982 982176026 /nfs/dbraw/zinc/17/60/26/982176026.db2.gz RGTDOFSBUFICLU-UHFFFAOYSA-N -1 1 245.238 1.036 20 0 BDADMM Cc1ccc([O-])c(C(=O)Nc2cnoc2)n1 ZINC001195319540 982200059 /nfs/dbraw/zinc/20/00/59/982200059.db2.gz SWIBSRADYIQKHN-UHFFFAOYSA-N -1 1 219.200 1.336 20 0 BDADMM CC[C@@H](C)[C@H](C(=O)[O-])N1CC(O)(C(C)C)C1 ZINC001594876404 982213984 /nfs/dbraw/zinc/21/39/84/982213984.db2.gz LWDMCYDYBASMJL-NXEZZACHSA-N -1 1 229.320 1.188 20 0 BDADMM Nc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241120487 982244828 /nfs/dbraw/zinc/24/48/28/982244828.db2.gz WYDYCIRPROPFMC-UHFFFAOYSA-N -1 1 223.182 1.710 20 0 BDADMM C=C/C=C\CCn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001588530304 982298634 /nfs/dbraw/zinc/29/86/34/982298634.db2.gz JVXHGXVRNYLQHC-WAYWQWQTSA-N -1 1 244.302 1.812 20 0 BDADMM C=C/C=C\CCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001588530304 982298647 /nfs/dbraw/zinc/29/86/47/982298647.db2.gz JVXHGXVRNYLQHC-WAYWQWQTSA-N -1 1 244.302 1.812 20 0 BDADMM O=C(Nc1ccccc1)c1c[nH]c(=S)[n-]c1=O ZINC001196008414 982381865 /nfs/dbraw/zinc/38/18/65/982381865.db2.gz BLNIMWGCWXNJNJ-UHFFFAOYSA-N -1 1 247.279 1.723 20 0 BDADMM COCc1nc(NCC(C)(C)OC)cc(=O)[n-]1 ZINC001351974520 982422614 /nfs/dbraw/zinc/42/26/14/982422614.db2.gz HYABSOYFLWZFJY-UHFFFAOYSA-N -1 1 241.291 1.166 20 0 BDADMM CC[C@H](C)[C@H](NCC(C)(F)F)C(=O)[O-] ZINC001594917466 982445274 /nfs/dbraw/zinc/44/52/74/982445274.db2.gz PDLXLXKNEAUIBG-BQBZGAKWSA-N -1 1 209.236 1.731 20 0 BDADMM CC(C)(C)c1n[nH]cc1CN1CC(C(=O)[O-])C1 ZINC001588747287 982449237 /nfs/dbraw/zinc/44/92/37/982449237.db2.gz XFBBKVQGGGFRDV-UHFFFAOYSA-N -1 1 237.303 1.224 20 0 BDADMM CC(C)OC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC001588928007 982532443 /nfs/dbraw/zinc/53/24/43/982532443.db2.gz LRQMXJRVDSPAOJ-JTQLQIEISA-N -1 1 243.303 1.267 20 0 BDADMM O=C([O-])[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001352773079 982571987 /nfs/dbraw/zinc/57/19/87/982571987.db2.gz CFVBLZCITYSHPK-SECBINFHSA-N -1 1 241.287 1.038 20 0 BDADMM COc1cnc(C(=O)[N-]c2cnoc2)c(F)c1 ZINC001197803204 982593735 /nfs/dbraw/zinc/59/37/35/982593735.db2.gz QAIUHIOKTJYOHZ-UHFFFAOYSA-N -1 1 237.190 1.470 20 0 BDADMM CC(C)(C)CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589127544 982630267 /nfs/dbraw/zinc/63/02/67/982630267.db2.gz XKFINLUFMQZCIA-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CC(C)(C)CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589127544 982630272 /nfs/dbraw/zinc/63/02/72/982630272.db2.gz XKFINLUFMQZCIA-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CC1(NCc2ccc(C(=O)[O-])s2)COC1 ZINC001589249968 982674988 /nfs/dbraw/zinc/67/49/88/982674988.db2.gz QNEBGUNBCPHNLL-UHFFFAOYSA-N -1 1 227.285 1.325 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1CC(=O)OCCCC(=O)[O-] ZINC001589323044 982719780 /nfs/dbraw/zinc/71/97/80/982719780.db2.gz GKNFZFRNGAPGFJ-NXEZZACHSA-N -1 1 243.303 1.267 20 0 BDADMM C[C@@H]1CCN(Cc2cocn2)C[C@H]1C(=O)[O-] ZINC001589356028 982739858 /nfs/dbraw/zinc/73/98/58/982739858.db2.gz XLAWUEDHCQFAPS-PSASIEDQSA-N -1 1 224.260 1.217 20 0 BDADMM C=CS(=O)(=O)[N-]c1cccc2nsnc21 ZINC001198555985 982777884 /nfs/dbraw/zinc/77/78/84/982777884.db2.gz KDQVSGGKHPFJRY-UHFFFAOYSA-N -1 1 241.297 1.577 20 0 BDADMM C=CS(=O)(=O)[N-]c1cc(F)ccc1O ZINC001198609237 982796919 /nfs/dbraw/zinc/79/69/19/982796919.db2.gz UMODOIABBSIENW-UHFFFAOYSA-N -1 1 217.221 1.417 20 0 BDADMM CC(C)(CF)[N-]S(=O)(=O)c1ccns1 ZINC001353325246 982838778 /nfs/dbraw/zinc/83/87/78/982838778.db2.gz WSBPZGMNCVWJEJ-UHFFFAOYSA-N -1 1 238.309 1.170 20 0 BDADMM CCC1(CC)CN([C@@H](C)C(=O)[O-])CC[S@]1=O ZINC001589612078 982843336 /nfs/dbraw/zinc/84/33/36/982843336.db2.gz CILYCEFCSQFUKS-XXFAHNHDSA-N -1 1 247.360 1.083 20 0 BDADMM CCCOC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC001589677950 982862701 /nfs/dbraw/zinc/86/27/01/982862701.db2.gz ZWGVCXYMHKGCGD-VIFPVBQESA-N -1 1 231.292 1.125 20 0 BDADMM CC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001590192574 982898880 /nfs/dbraw/zinc/89/88/80/982898880.db2.gz KHSFFGFIZIFGBO-UHFFFAOYSA-N -1 1 245.290 1.115 20 0 BDADMM CC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001590192574 982898881 /nfs/dbraw/zinc/89/88/81/982898881.db2.gz KHSFFGFIZIFGBO-UHFFFAOYSA-N -1 1 245.290 1.115 20 0 BDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590235802 982911281 /nfs/dbraw/zinc/91/12/81/982911281.db2.gz CLMWWMMBVYRRMK-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590235802 982911290 /nfs/dbraw/zinc/91/12/90/982911290.db2.gz CLMWWMMBVYRRMK-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM CC1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590300804 982924071 /nfs/dbraw/zinc/92/40/71/982924071.db2.gz HNNHDBDRDGGLHP-UHFFFAOYSA-N -1 1 249.299 1.020 20 0 BDADMM CC[C@@H](C)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590409101 982935408 /nfs/dbraw/zinc/93/54/08/982935408.db2.gz KJFDGHLLUWGEER-MRVPVSSYSA-N -1 1 233.275 1.075 20 0 BDADMM CC[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590408679 982937141 /nfs/dbraw/zinc/93/71/41/982937141.db2.gz BALXYJDCGHNBHR-MRVPVSSYSA-N -1 1 247.306 1.505 20 0 BDADMM CC[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590408679 982937149 /nfs/dbraw/zinc/93/71/49/982937149.db2.gz BALXYJDCGHNBHR-MRVPVSSYSA-N -1 1 247.306 1.505 20 0 BDADMM CCCC(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001590530580 982955719 /nfs/dbraw/zinc/95/57/19/982955719.db2.gz DTUFLBMINXFWTE-UHFFFAOYSA-N -1 1 248.290 1.049 20 0 BDADMM CCCC(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001590530580 982955727 /nfs/dbraw/zinc/95/57/27/982955727.db2.gz DTUFLBMINXFWTE-UHFFFAOYSA-N -1 1 248.290 1.049 20 0 BDADMM CC1=C(C)CN(C(=O)c2cnncc2O)CC1 ZINC001353678439 982966841 /nfs/dbraw/zinc/96/68/41/982966841.db2.gz IZZPWFJGQUNHNW-UHFFFAOYSA-N -1 1 233.271 1.365 20 0 BDADMM CC1=C(C)CN(C(=O)c2cnncc2[O-])CC1 ZINC001353678439 982966852 /nfs/dbraw/zinc/96/68/52/982966852.db2.gz IZZPWFJGQUNHNW-UHFFFAOYSA-N -1 1 233.271 1.365 20 0 BDADMM CC[C@@H]1C[C@H]1Cn1ccnc1-c1nnn[n-]1 ZINC001590860353 982997046 /nfs/dbraw/zinc/99/70/46/982997046.db2.gz OUALBMSATSHACL-SFYZADRCSA-N -1 1 218.264 1.109 20 0 BDADMM CC[C@@H]1C[C@H]1Cn1ccnc1-c1nn[n-]n1 ZINC001590860353 982997062 /nfs/dbraw/zinc/99/70/62/982997062.db2.gz OUALBMSATSHACL-SFYZADRCSA-N -1 1 218.264 1.109 20 0 BDADMM CN(CC(C)(C)C)c1ncncc1-c1nn[n-]n1 ZINC001591042558 983027830 /nfs/dbraw/zinc/02/78/30/983027830.db2.gz JGAMNMXYGDVQOY-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CO[C@@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591467208 983068757 /nfs/dbraw/zinc/06/87/57/983068757.db2.gz BGLFGEQTJAPFLF-QMMMGPOBSA-N -1 1 248.290 1.017 20 0 BDADMM CO[C@@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591467208 983068768 /nfs/dbraw/zinc/06/87/68/983068768.db2.gz BGLFGEQTJAPFLF-QMMMGPOBSA-N -1 1 248.290 1.017 20 0 BDADMM Cc1ccc(N(C)CC(C)C)c(-c2nnn[n-]2)n1 ZINC001592176456 983117916 /nfs/dbraw/zinc/11/79/16/983117916.db2.gz YBGNXFDIGWFMFA-UHFFFAOYSA-N -1 1 246.318 1.662 20 0 BDADMM Cc1ccc(N(C)CC(C)C)c(-c2nn[n-]n2)n1 ZINC001592176456 983117921 /nfs/dbraw/zinc/11/79/21/983117921.db2.gz YBGNXFDIGWFMFA-UHFFFAOYSA-N -1 1 246.318 1.662 20 0 BDADMM Cc1ccc(N[C@H]2C=CCC2)c(-c2nnn[n-]2)n1 ZINC001592184901 983118399 /nfs/dbraw/zinc/11/83/99/983118399.db2.gz YFAFOCQOUQJPAL-VIFPVBQESA-N -1 1 242.286 1.701 20 0 BDADMM Cc1ccc(N[C@H]2C=CCC2)c(-c2nn[n-]n2)n1 ZINC001592184901 983118400 /nfs/dbraw/zinc/11/84/00/983118400.db2.gz YFAFOCQOUQJPAL-VIFPVBQESA-N -1 1 242.286 1.701 20 0 BDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@H]1C ZINC001592110382 983118684 /nfs/dbraw/zinc/11/86/84/983118684.db2.gz NTENDCDFGSHTKK-SECBINFHSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H]1C ZINC001592110382 983118687 /nfs/dbraw/zinc/11/86/87/983118687.db2.gz NTENDCDFGSHTKK-SECBINFHSA-N -1 1 244.302 1.559 20 0 BDADMM Cc1nsc(NCC(C)C)c1-c1nn[n-]n1 ZINC001592486272 983171290 /nfs/dbraw/zinc/17/12/90/983171290.db2.gz HIOYKFGXJMSNOH-UHFFFAOYSA-N -1 1 238.320 1.700 20 0 BDADMM Cc1occc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001592512428 983177254 /nfs/dbraw/zinc/17/72/54/983177254.db2.gz VWUGVJVBGUSUBI-UHFFFAOYSA-N -1 1 245.246 1.103 20 0 BDADMM Cc1occc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001592512428 983177262 /nfs/dbraw/zinc/17/72/62/983177262.db2.gz VWUGVJVBGUSUBI-UHFFFAOYSA-N -1 1 245.246 1.103 20 0 BDADMM F[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592632478 983191265 /nfs/dbraw/zinc/19/12/65/983191265.db2.gz XQPIHFVGRSSRFT-QMMMGPOBSA-N -1 1 248.265 1.200 20 0 BDADMM F[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592632478 983191269 /nfs/dbraw/zinc/19/12/69/983191269.db2.gz XQPIHFVGRSSRFT-QMMMGPOBSA-N -1 1 248.265 1.200 20 0 BDADMM c1cc(N[C@H]2CC23CCC3)cc(-c2nnn[n-]2)n1 ZINC001593559337 983305442 /nfs/dbraw/zinc/30/54/42/983305442.db2.gz WLUKXJDNRRNFCL-JTQLQIEISA-N -1 1 242.286 1.038 20 0 BDADMM c1cc(N[C@H]2CC23CCC3)cc(-c2nn[n-]n2)n1 ZINC001593559337 983305451 /nfs/dbraw/zinc/30/54/51/983305451.db2.gz WLUKXJDNRRNFCL-JTQLQIEISA-N -1 1 242.286 1.038 20 0 BDADMM c1nc(-c2nnn[n-]2)cnc1NCCCC1CC1 ZINC001593590029 983307500 /nfs/dbraw/zinc/30/75/00/983307500.db2.gz CMYRDQYQUBQRHC-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM c1nc(-c2nn[n-]n2)cnc1NCCCC1CC1 ZINC001593590029 983307507 /nfs/dbraw/zinc/30/75/07/983307507.db2.gz CMYRDQYQUBQRHC-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM O=c1[nH]cc2[nH]c(-c3ccc(F)cc3[O-])ccc1-2 ZINC001242216272 983412181 /nfs/dbraw/zinc/41/21/81/983412181.db2.gz RLPNWBJBYPRKEW-UHFFFAOYSA-N -1 1 244.225 1.837 20 0 BDADMM COC(=O)CC(=O)Nc1cc([O-])c(F)cc1F ZINC001570102315 984023904 /nfs/dbraw/zinc/02/39/04/984023904.db2.gz ZMKNEHLDMVOOCK-UHFFFAOYSA-N -1 1 245.181 1.172 20 0 BDADMM CO[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001445336115 984592696 /nfs/dbraw/zinc/59/26/96/984592696.db2.gz KAJUOKXICDJNSN-VIFPVBQESA-N -1 1 239.246 1.392 20 0 BDADMM C[C@@H](O)C(C)(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001446340919 984643057 /nfs/dbraw/zinc/64/30/57/984643057.db2.gz UKTAICNGPJKRQD-SSDOTTSWSA-N -1 1 241.262 1.421 20 0 BDADMM C/C(=C\C(=O)[O-])CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC001588945041 984651405 /nfs/dbraw/zinc/65/14/05/984651405.db2.gz HGAUZUFMSARYFX-OJHBQYHASA-N -1 1 227.304 1.515 20 0 BDADMM C/C(=C/C(=O)[O-])CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC001588945038 984651441 /nfs/dbraw/zinc/65/14/41/984651441.db2.gz HGAUZUFMSARYFX-AHOAGHEPSA-N -1 1 227.304 1.515 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/nfs/dbraw/zinc/64/06/92/585640692.db2.gz NUOAJRKYCRCCIS-ZCFIWIBFSA-N -1 1 242.202 1.250 20 0 BDADMM COCCCOC(=O)c1ccc([O-])cc1F ZINC000773569719 585640781 /nfs/dbraw/zinc/64/07/81/585640781.db2.gz VYFARQWHEPFHIX-UHFFFAOYSA-N -1 1 228.219 1.725 20 0 BDADMM CO[C@@H]1[C@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000775979906 585688975 /nfs/dbraw/zinc/68/89/75/585688975.db2.gz YZVKKHOAZQTSFD-FSDSQADBSA-N -1 1 239.237 1.724 20 0 BDADMM Cc1cccc(COC(=O)c2cn[n-]n2)c1 ZINC000805603536 585728972 /nfs/dbraw/zinc/72/89/72/585728972.db2.gz PUJWPNHWOVEKNT-UHFFFAOYSA-N -1 1 217.228 1.470 20 0 BDADMM CC(C)(C)OCCCCOC(=O)c1cn[n-]n1 ZINC000805603511 585729049 /nfs/dbraw/zinc/72/90/49/585729049.db2.gz OTBPRVKFSDGDGH-UHFFFAOYSA-N -1 1 241.291 1.557 20 0 BDADMM CC(C)c1cnc(COC(=O)c2cn[n-]n2)o1 ZINC000805606894 585734192 /nfs/dbraw/zinc/73/41/92/585734192.db2.gz OHPPRXPBZIQSIH-UHFFFAOYSA-N -1 1 236.231 1.273 20 0 BDADMM CO[C@@H](COC(=O)c1cn[n-]n1)c1ccccc1 ZINC000805608568 585735690 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/nfs/dbraw/zinc/91/91/03/585919103.db2.gz OQTPNEAFHLCIST-UHFFFAOYSA-N -1 1 249.245 1.541 20 0 BDADMM O=C(Nc1nnn[n-]1)[C@@H](F)CC1CCCCC1 ZINC000793528661 586021981 /nfs/dbraw/zinc/02/19/81/586021981.db2.gz VWDSNELGLFIPRE-QMMMGPOBSA-N -1 1 241.270 1.447 20 0 BDADMM O=C(Nc1nn[n-]n1)[C@@H](F)CC1CCCCC1 ZINC000793528661 586021982 /nfs/dbraw/zinc/02/19/82/586021982.db2.gz VWDSNELGLFIPRE-QMMMGPOBSA-N -1 1 241.270 1.447 20 0 BDADMM COC(=O)c1ccc(C(=O)OC/C=C\Cl)[n-]1 ZINC000796343338 586100317 /nfs/dbraw/zinc/10/03/17/586100317.db2.gz DQUCBAKBGDJMCM-DJWKRKHSSA-N -1 1 243.646 1.711 20 0 BDADMM COC(=O)c1ccc(C(=O)OCCCCF)[n-]1 ZINC000796343213 586101312 /nfs/dbraw/zinc/10/13/12/586101312.db2.gz DQURZCBULFQVJD-UHFFFAOYSA-N -1 1 243.234 1.708 20 0 BDADMM CC/C=C\COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796782929 586112452 /nfs/dbraw/zinc/11/24/52/586112452.db2.gz FHLBKJQDEFLMHB-PLNGDYQASA-N -1 1 237.255 1.924 20 0 BDADMM Cn1[n-]cc2c(=NC(=O)C3=CCCC3)ccnc1-2 ZINC000801700872 586269167 /nfs/dbraw/zinc/26/91/67/586269167.db2.gz SRBYWUNVDIEHOE-UHFFFAOYSA-N -1 1 242.282 1.391 20 0 BDADMM O=C(NOC/C=C/Cl)c1ccc([O-])cc1F ZINC000812405105 586576344 /nfs/dbraw/zinc/57/63/44/586576344.db2.gz QSXTYZLIDRCJOK-DAFODLJHSA-N -1 1 245.637 1.945 20 0 BDADMM O=C(CCc1ncccn1)[N-]OCC(F)(F)F ZINC000812533838 586578657 /nfs/dbraw/zinc/57/86/57/586578657.db2.gz FKHMQQDHLLUFTQ-UHFFFAOYSA-N -1 1 249.192 1.019 20 0 BDADMM CO[C@H]1CCCC[C@@H]1C(=O)[N-]OCC(C)C ZINC000815859667 586695046 /nfs/dbraw/zinc/69/50/46/586695046.db2.gz JLMYWMFQYNURGI-QWRGUYRKSA-N -1 1 229.320 1.895 20 0 BDADMM CC[C@@H](C)CONC(=O)c1ncc(C)cc1[O-] ZINC000816977518 586777111 /nfs/dbraw/zinc/77/71/11/586777111.db2.gz AZEVMUKPPNZJMV-MRVPVSSYSA-N -1 1 238.287 1.803 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1cccnc1 ZINC000820402452 587046361 /nfs/dbraw/zinc/04/63/61/587046361.db2.gz KQWFQIPNAFAWIO-SNAWJCMRSA-N -1 1 244.254 1.471 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C=CC1CC1 ZINC000820402517 587046450 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/nfs/dbraw/zinc/29/25/52/587292552.db2.gz LPFDGLACINKZKI-HTQZYQBOSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824906447 587292894 /nfs/dbraw/zinc/29/28/94/587292894.db2.gz BPQIWZYIQHWTEP-HTQZYQBOSA-N -1 1 245.290 1.034 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824906447 587292896 /nfs/dbraw/zinc/29/28/96/587292896.db2.gz BPQIWZYIQHWTEP-HTQZYQBOSA-N -1 1 245.290 1.034 20 0 BDADMM CCC[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825253915 587311404 /nfs/dbraw/zinc/31/14/04/587311404.db2.gz PNURYNCBXSIEHG-IONNQARKSA-N -1 1 245.290 1.257 20 0 BDADMM CCC[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825253915 587311406 /nfs/dbraw/zinc/31/14/06/587311406.db2.gz PNURYNCBXSIEHG-IONNQARKSA-N -1 1 245.290 1.257 20 0 BDADMM CCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825342155 587316158 /nfs/dbraw/zinc/31/61/58/587316158.db2.gz OPRAQSZXBJHEJO-UHFFFAOYSA-N -1 1 235.316 1.905 20 0 BDADMM CCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825342155 587316160 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/nfs/dbraw/zinc/35/38/55/587353855.db2.gz QVUZSYNLRNOISP-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM CCCCCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826825928 587363507 /nfs/dbraw/zinc/36/35/07/587363507.db2.gz LPLHPOCFQJFJDV-GHMZBOCLSA-N -1 1 244.335 1.534 20 0 BDADMM CC(C)OCCN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000827027722 587368306 /nfs/dbraw/zinc/36/83/06/587368306.db2.gz VRXUEQYBRZHPBK-LLVKDONJSA-N -1 1 247.335 1.221 20 0 BDADMM CCN(CCOC(C)C)C1CN(C(=O)[O-])C1 ZINC000827156713 587371520 /nfs/dbraw/zinc/37/15/20/587371520.db2.gz KZVKPWXVBOJKGT-UHFFFAOYSA-N -1 1 230.308 1.096 20 0 BDADMM CN(C(=O)[O-])[C@H]1CCN(Cc2cccnc2)C1 ZINC000827889740 587408448 /nfs/dbraw/zinc/40/84/48/587408448.db2.gz KOKCQUDWZIRATO-NSHDSACASA-N -1 1 235.287 1.266 20 0 BDADMM CC[C@@H]1C[C@@H](C)CN1Cn1cnc(C(=O)[O-])n1 ZINC000829074771 587482195 /nfs/dbraw/zinc/48/21/95/587482195.db2.gz IWSZUBNIFUHGEN-RKDXNWHRSA-N -1 1 238.291 1.054 20 0 BDADMM Cc1cc(F)ccc1CNC1CN(C(=O)[O-])C1 ZINC000830069551 587534400 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1 246.318 1.744 20 0 BDADMM CN(CC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294099 599436118 /nfs/dbraw/zinc/43/61/18/599436118.db2.gz WPXZVZUHZXEQQF-UHFFFAOYSA-N -1 1 244.302 1.498 20 0 BDADMM CN(CC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294099 599436120 /nfs/dbraw/zinc/43/61/20/599436120.db2.gz WPXZVZUHZXEQQF-UHFFFAOYSA-N -1 1 244.302 1.498 20 0 BDADMM CCC[C@@](C)(NCC(=O)N[C@@H](C)CC)C(=O)[O-] ZINC000036808123 600321081 /nfs/dbraw/zinc/32/10/81/600321081.db2.gz ISZZBMLNOLKWOG-JOYOIKCWSA-N -1 1 244.335 1.134 20 0 BDADMM Cc1nonc1CN(CCC(=O)[O-])C(C)C ZINC000069795478 600505752 /nfs/dbraw/zinc/50/57/52/600505752.db2.gz SANGMLBOWMAOBB-UHFFFAOYSA-N -1 1 227.264 1.063 20 0 BDADMM Cc1oc(CN(C)C[C@@H](C)O)cc1C(=O)[O-] ZINC000051821596 600978819 /nfs/dbraw/zinc/97/88/19/600978819.db2.gz QWJYRSZHRSOORE-SSDOTTSWSA-N -1 1 227.260 1.099 20 0 BDADMM C/C(=C\CN1CCOc2ccccc2C1)C(=O)[O-] ZINC000088630728 601157174 /nfs/dbraw/zinc/15/71/74/601157174.db2.gz XGHAYHNKRAFARN-IZZDOVSWSA-N -1 1 247.294 1.912 20 0 BDADMM C/C(=C\CNC(C)(C)c1nccs1)C(=O)[O-] ZINC000380776191 601168101 /nfs/dbraw/zinc/16/81/01/601168101.db2.gz XPVJQNXJCFWWJP-XBXARRHUSA-N -1 1 240.328 1.999 20 0 BDADMM Cc1cc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)no1 ZINC000082557915 601500792 /nfs/dbraw/zinc/50/07/92/601500792.db2.gz AYEYDSJHWWPVFY-OIBJUYFYSA-N -1 1 224.260 1.136 20 0 BDADMM C[C@H]1CN(Cc2cscn2)C[C@H]1C(=O)[O-] ZINC000251782072 601522284 /nfs/dbraw/zinc/52/22/84/601522284.db2.gz MZKDFNRLIXCHPI-IONNQARKSA-N -1 1 226.301 1.296 20 0 BDADMM Cc1cnc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000700318785 601525061 /nfs/dbraw/zinc/52/50/61/601525061.db2.gz HJSFHQYUFLQXQY-CBAPKCEASA-N -1 1 224.260 1.136 20 0 BDADMM Cc1cnc(CN2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000700317620 601939678 /nfs/dbraw/zinc/93/96/78/601939678.db2.gz CWLJPZZDENIJBT-LLVKDONJSA-N -1 1 224.260 1.280 20 0 BDADMM C/C(=C/CN1CCOC(C)(C)[C@@H]1C)C(=O)[O-] ZINC000707207596 602019280 /nfs/dbraw/zinc/01/92/80/602019280.db2.gz KKEMBKBFKLKIAL-BSKOKIOFSA-N -1 1 227.304 1.517 20 0 BDADMM O=C([O-])N(CCNCc1ccco1)C1CC1 ZINC000740490057 602057217 /nfs/dbraw/zinc/05/72/17/602057217.db2.gz UMGBZWWQDBRDQY-UHFFFAOYSA-N -1 1 224.260 1.512 20 0 BDADMM O=C([O-])N1CCCC[C@H]1CNCc1ncc[nH]1 ZINC000740517355 602097232 /nfs/dbraw/zinc/09/72/32/602097232.db2.gz WJWHGOFDXBIICF-VIFPVBQESA-N -1 1 238.291 1.032 20 0 BDADMM CN(CCNCc1cc(F)ccc1F)C(=O)[O-] ZINC000739699168 602294221 /nfs/dbraw/zinc/29/42/21/602294221.db2.gz QRZKVOALSBXHLO-UHFFFAOYSA-N -1 1 244.241 1.664 20 0 BDADMM C[C@H]1CN(C[C@@H]2CCCN(C(=O)[O-])C2)CCO1 ZINC000739177989 602450903 /nfs/dbraw/zinc/45/09/03/602450903.db2.gz HZEMIADXCUOYOG-QWRGUYRKSA-N -1 1 242.319 1.097 20 0 BDADMM C[C@@H](c1ccncc1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739059967 602553077 /nfs/dbraw/zinc/55/30/77/602553077.db2.gz LZLQYVNZTCHFME-GXSJLCMTSA-N -1 1 235.287 1.485 20 0 BDADMM COCCCCN1CCN(C(=O)[O-])C[C@H]1C ZINC000739811231 603022195 /nfs/dbraw/zinc/02/21/95/603022195.db2.gz SRLJNKBXFQFWQF-SNVBAGLBSA-N -1 1 230.308 1.097 20 0 BDADMM COc1cccc(CN(C)CCNC(=O)[O-])c1 ZINC000739947736 603082316 /nfs/dbraw/zinc/08/23/16/603082316.db2.gz SOVXXDWQPIKWGB-UHFFFAOYSA-N -1 1 238.287 1.395 20 0 BDADMM Cc1cccc(CN2CCC(NC(=O)[O-])CC2)n1 ZINC000740170101 603247144 /nfs/dbraw/zinc/24/71/44/603247144.db2.gz LOMQUFDETFNJGK-UHFFFAOYSA-N -1 1 249.314 1.622 20 0 BDADMM O=C([O-])N[C@H]1CCCN(CCOCC2CC2)C1 ZINC000738655132 603326485 /nfs/dbraw/zinc/32/64/85/603326485.db2.gz LTUCSNITBVDFFK-NSHDSACASA-N -1 1 242.319 1.145 20 0 BDADMM CCOCCCN1CCN(C(=O)[O-])C[C@H]1C ZINC000739491461 603343873 /nfs/dbraw/zinc/34/38/73/603343873.db2.gz GBHAMXSLAUMAQG-SNVBAGLBSA-N -1 1 230.308 1.097 20 0 BDADMM C[C@H]1CN(Cc2ccno2)CC[C@@H]1NC(=O)[O-] ZINC000739193688 603415899 /nfs/dbraw/zinc/41/58/99/603415899.db2.gz UNUNWISPAMVAHY-WPRPVWTQSA-N -1 1 239.275 1.153 20 0 BDADMM C[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095255145 606439525 /nfs/dbraw/zinc/43/95/25/606439525.db2.gz VZTZJNXFBSOUKD-SECBINFHSA-N -1 1 244.302 1.641 20 0 BDADMM 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O=C(Nc1cccc(F)c1[O-])C1=COCCO1 ZINC001454756771 985051730 /nfs/dbraw/zinc/05/17/30/985051730.db2.gz MPEJRNVEMKWWRR-UHFFFAOYSA-N -1 1 239.202 1.358 20 0 BDADMM [O-]c1c(F)cc(F)cc1-c1cnnnc1 ZINC001243503311 985052213 /nfs/dbraw/zinc/05/22/13/985052213.db2.gz GWFHHKFRVDDGCR-UHFFFAOYSA-N -1 1 209.155 1.522 20 0 BDADMM Cc1nc(-c2cccc([O-])c2F)nc(N(C)C)n1 ZINC001243541018 985063848 /nfs/dbraw/zinc/06/38/48/985063848.db2.gz CEPTYDZLGIVVBV-UHFFFAOYSA-N -1 1 248.261 1.758 20 0 BDADMM C[C@H]1COC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001456075038 985108788 /nfs/dbraw/zinc/10/87/88/985108788.db2.gz GNJYPAIVXURLFJ-IONNQARKSA-N -1 1 239.246 1.296 20 0 BDADMM Cc1cnc(C(=O)Nc2ccncc2[O-])cc1C ZINC001457612515 985222812 /nfs/dbraw/zinc/22/28/12/985222812.db2.gz BALHKFISBOZREL-UHFFFAOYSA-N -1 1 243.266 1.473 20 0 BDADMM Cc1cnc(SCc2ccon2)[n-]c1=O ZINC001459097428 985383868 /nfs/dbraw/zinc/38/38/68/985383868.db2.gz ZEXMOPFERWPUFK-UHFFFAOYSA-N -1 1 223.257 1.771 20 0 BDADMM Cc1nc[nH]c1C(=O)O[C@@H](CC(C)C)C(=O)[O-] 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/nfs/dbraw/zinc/10/91/74/989109174.db2.gz IBRGAACZASZPKC-RKDXNWHRSA-N -1 1 237.307 1.379 20 0 BDADMM Cc1csc(CNC2(CC(=O)[O-])CC2)n1 ZINC001119596969 989209649 /nfs/dbraw/zinc/20/96/49/989209649.db2.gz CADMPYNSCXXYDK-UHFFFAOYSA-N -1 1 226.301 1.548 20 0 BDADMM Cc1nc(CN(C)C(C)(C)CC(=O)[O-])[nH]c1C ZINC001119602557 989223703 /nfs/dbraw/zinc/22/37/03/989223703.db2.gz RCPNXNOGROTDPN-UHFFFAOYSA-N -1 1 239.319 1.712 20 0 BDADMM C[C@@H](CCCNCc1cscn1)C(=O)[O-] ZINC001119610864 989238001 /nfs/dbraw/zinc/23/80/01/989238001.db2.gz IKQROXBTRHFGGQ-QMMMGPOBSA-N -1 1 228.317 1.734 20 0 BDADMM C=C/C(C)=C\CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001520460891 989571817 /nfs/dbraw/zinc/57/18/17/989571817.db2.gz SFOMICCGIIOPFP-ZUYFITGHSA-N -1 1 247.302 1.038 20 0 BDADMM O=C(c1cnncc1[O-])N1CCCCCCC1 ZINC001120534972 989697264 /nfs/dbraw/zinc/69/72/64/989697264.db2.gz ANJIKPPDXWCWHY-UHFFFAOYSA-N -1 1 235.287 1.589 20 0 BDADMM CCn1cccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001521627608 989761666 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1.426 20 0 BDADMM CCC[C@H](NC(=O)C=C1CCCC1)c1nn[n-]n1 ZINC000736429950 585001719 /nfs/dbraw/zinc/00/17/19/585001719.db2.gz MXTJRAGQKIATQP-JTQLQIEISA-N -1 1 249.318 1.658 20 0 BDADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC(=O)O1 ZINC000867006332 585095097 /nfs/dbraw/zinc/09/50/97/585095097.db2.gz IKWLFIZCEGALDI-MRVPVSSYSA-N -1 1 239.202 1.175 20 0 BDADMM COC(C)(C)C[C@H](C)[N-]C(=O)C(F)(F)F ZINC000742099643 585122200 /nfs/dbraw/zinc/12/22/00/585122200.db2.gz SUPFEPDWCKWEDG-LURJTMIESA-N -1 1 227.226 1.869 20 0 BDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C1CC1 ZINC000747369619 585178327 /nfs/dbraw/zinc/17/83/27/585178327.db2.gz VEVOMFLSHQPPKB-UHFFFAOYSA-N -1 1 249.314 1.848 20 0 BDADMM CC(C)(C)n1cnc([N-]C(=O)c2cnco2)n1 ZINC000753189417 585254948 /nfs/dbraw/zinc/25/49/48/585254948.db2.gz PAZKSLOJFYXIQN-UHFFFAOYSA-N -1 1 235.247 1.273 20 0 BDADMM COCCCO[N-]C(=O)[C@H](C)c1ccsc1 ZINC000805038485 585256922 /nfs/dbraw/zinc/25/69/22/585256922.db2.gz IADBYTFUUXTOOE-SECBINFHSA-N -1 1 243.328 1.936 20 0 BDADMM Cc1cnccc1CC[N-]C(=O)C(F)(F)F ZINC000755211678 585296050 /nfs/dbraw/zinc/29/60/50/585296050.db2.gz RAPNYSBMBWAEJU-UHFFFAOYSA-N -1 1 232.205 1.611 20 0 BDADMM C[C@@H](C(=O)[N-]OCC(C)(C)O)c1ccsc1 ZINC000839740271 585339629 /nfs/dbraw/zinc/33/96/29/585339629.db2.gz YHRQVACKIKSDRL-MRVPVSSYSA-N -1 1 243.328 1.670 20 0 BDADMM C[C@H](CC(=O)[N-]OCC(F)F)c1cccnc1 ZINC000759331843 585367678 /nfs/dbraw/zinc/36/76/78/585367678.db2.gz TYZKETMHWSRTPB-MRVPVSSYSA-N -1 1 244.241 1.888 20 0 BDADMM O=C(NOCC(F)F)c1ccc([O-])cc1F ZINC000760161156 585386273 /nfs/dbraw/zinc/38/62/73/585386273.db2.gz UYXAYXWNQDGCJT-UHFFFAOYSA-N -1 1 235.161 1.458 20 0 BDADMM O=C(Nc1cc(Cl)[nH]n1)c1cncc([O-])c1 ZINC000765023469 585479948 /nfs/dbraw/zinc/47/99/48/585479948.db2.gz JFXKZKCAUOTHPR-UHFFFAOYSA-N -1 1 238.634 1.416 20 0 BDADMM COCCOC(=O)c1ccc([O-])cc1F ZINC000773566872 585640561 /nfs/dbraw/zinc/64/05/61/585640561.db2.gz PFXZYXHBMVBNNW-UHFFFAOYSA-N -1 1 214.192 1.335 20 0 BDADMM [O-]C(=NO[C@H]1CCCCO1)Nc1cccnn1 ZINC000775670675 585682823 /nfs/dbraw/zinc/68/28/23/585682823.db2.gz QUEUFKYQHCVQCV-VIFPVBQESA-N -1 1 238.247 1.056 20 0 BDADMM O=C([N-]O[C@H]1CCCCO1)Nc1cccnn1 ZINC000775670675 585682824 /nfs/dbraw/zinc/68/28/24/585682824.db2.gz QUEUFKYQHCVQCV-VIFPVBQESA-N -1 1 238.247 1.056 20 0 BDADMM CO[C@@H]1[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000775979905 585688991 /nfs/dbraw/zinc/68/89/91/585688991.db2.gz YZVKKHOAZQTSFD-DSYKOEDSSA-N -1 1 239.237 1.724 20 0 BDADMM O=C(Nn1ccccc1=O)c1cc(F)ccc1[O-] ZINC000777783778 585719996 /nfs/dbraw/zinc/71/99/96/585719996.db2.gz NOPUYGIWJWCUFW-UHFFFAOYSA-N -1 1 248.213 1.077 20 0 BDADMM O=C(OCc1ccc(F)cc1F)c1cn[n-]n1 ZINC000805604674 585731071 /nfs/dbraw/zinc/73/10/71/585731071.db2.gz PACMADCEKBLTKX-UHFFFAOYSA-N -1 1 239.181 1.440 20 0 BDADMM Cc1ccc(COC(=O)c2cn[n-]n2)cc1 ZINC000805604996 585731505 /nfs/dbraw/zinc/73/15/05/585731505.db2.gz HGEYDHZRUXLBRZ-UHFFFAOYSA-N -1 1 217.228 1.470 20 0 BDADMM O=C(OCc1cccnc1Cl)c1cn[n-]n1 ZINC000805607125 585734733 /nfs/dbraw/zinc/73/47/33/585734733.db2.gz QWHAVRJGGHSCDE-UHFFFAOYSA-N -1 1 238.634 1.210 20 0 BDADMM C[C@@H](COC(=O)c1cn[n-]n1)C(F)(F)F ZINC000805607965 585735309 /nfs/dbraw/zinc/73/53/09/585735309.db2.gz VEOZJYBXHDKYLN-BYPYZUCNSA-N -1 1 223.154 1.160 20 0 BDADMM CC[C@H](CO)C(=O)[N-]OCc1ccc(F)cc1 ZINC000779841664 585768738 /nfs/dbraw/zinc/76/87/38/585768738.db2.gz RTRNSYRICVENRH-SNVBAGLBSA-N -1 1 241.262 1.392 20 0 BDADMM Cc1cccc([C@H](C)C(=O)[N-]OCCO)c1 ZINC000787286134 585904872 /nfs/dbraw/zinc/90/48/72/585904872.db2.gz AHSRCGWUHDQOGC-JTQLQIEISA-N -1 1 223.272 1.139 20 0 BDADMM O=C(Nc1nc(Cl)ccc1[O-])C(F)F ZINC000790056527 585956656 /nfs/dbraw/zinc/95/66/56/585956656.db2.gz NWCLQIQMXSQJMC-UHFFFAOYSA-N -1 1 222.578 1.644 20 0 BDADMM O=C(C[C@@H]1CCCOC1)[N-]OCC(F)(F)F ZINC000793679471 586024830 /nfs/dbraw/zinc/02/48/30/586024830.db2.gz JHOQSXSJGFXPLH-ZETCQYMHSA-N -1 1 241.209 1.413 20 0 BDADMM CSCCONC(=O)c1ncc(C)cc1[O-] ZINC000794193113 586034859 /nfs/dbraw/zinc/03/48/59/586034859.db2.gz XXPCVUGUNKPSLF-UHFFFAOYSA-N -1 1 242.300 1.120 20 0 BDADMM COC(=O)c1ccc(C(=O)OCC2CC2)[n-]1 ZINC000796344762 586101430 /nfs/dbraw/zinc/10/14/30/586101430.db2.gz KTYGJIPBZXYAQK-UHFFFAOYSA-N -1 1 223.228 1.368 20 0 BDADMM COC(=O)c1ccc(C(=O)O[C@H](C)C2CC2)[n-]1 ZINC000796776352 586112359 /nfs/dbraw/zinc/11/23/59/586112359.db2.gz VSIWWAQOXXPAQZ-SSDOTTSWSA-N -1 1 237.255 1.757 20 0 BDADMM Cn1[n-]cc2c(=NC(=O)C3=CCC3)ccnc1-2 ZINC000801703564 586269257 /nfs/dbraw/zinc/26/92/57/586269257.db2.gz QSVDWNLMBUPDIC-UHFFFAOYSA-N -1 1 228.255 1.001 20 0 BDADMM O=C([N-]OC/C=C/Cl)C1C=NC(=S)N1 ZINC000812406228 586576152 /nfs/dbraw/zinc/57/61/52/586576152.db2.gz CUNXFSDRIUIIKH-OWOJBTEDSA-N -1 1 233.680 1.112 20 0 BDADMM CC1=C(C(=O)[N-]OCCOC(C)C)CCCO1 ZINC000812806733 586587097 /nfs/dbraw/zinc/58/70/97/586587097.db2.gz NHMOUMPEWKQNNA-UHFFFAOYSA-N -1 1 243.303 1.544 20 0 BDADMM COCCCO[N-]C(=O)[C@H]1CCCC[C@H]1OC ZINC000816660687 586753139 /nfs/dbraw/zinc/75/31/39/586753139.db2.gz MJNNKUDYSNLJEO-WDEREUQCSA-N -1 1 245.319 1.276 20 0 BDADMM Cc1cc(CC(=O)[N-]OCCC2CC2)[nH]n1 ZINC000817383099 586799562 /nfs/dbraw/zinc/79/95/62/586799562.db2.gz DIPHHGNXLVTRSC-UHFFFAOYSA-N -1 1 223.276 1.109 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C=CC(C)(C)C ZINC000820403498 587046762 /nfs/dbraw/zinc/04/67/62/587046762.db2.gz VASOSRLINAAPLK-AATRIKPKSA-N -1 1 223.276 1.965 20 0 BDADMM CN(CC(=O)[O-])Cc1cnc(-c2ccccc2)[nH]1 ZINC000820569486 587055326 /nfs/dbraw/zinc/05/53/26/587055326.db2.gz SPXXSHHSYIWVEN-UHFFFAOYSA-N -1 1 245.282 1.593 20 0 BDADMM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820675728 587065735 /nfs/dbraw/zinc/06/57/35/587065735.db2.gz KNLOOQVXFQPGBQ-NTSWFWBYSA-N -1 1 249.299 1.066 20 0 BDADMM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820675728 587065733 /nfs/dbraw/zinc/06/57/33/587065733.db2.gz KNLOOQVXFQPGBQ-NTSWFWBYSA-N -1 1 249.299 1.066 20 0 BDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC000820727812 587068579 /nfs/dbraw/zinc/06/85/79/587068579.db2.gz PIHDTANRDGPHKE-RKDXNWHRSA-N -1 1 244.302 1.496 20 0 BDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC000820727812 587068581 /nfs/dbraw/zinc/06/85/81/587068581.db2.gz PIHDTANRDGPHKE-RKDXNWHRSA-N -1 1 244.302 1.496 20 0 BDADMM CO[N-]C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000820844441 587076555 /nfs/dbraw/zinc/07/65/55/587076555.db2.gz GUDQOSCUKNGEMO-JTQLQIEISA-N -1 1 209.220 1.533 20 0 BDADMM CC[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820987597 587086500 /nfs/dbraw/zinc/08/65/00/587086500.db2.gz ABPUSTOHOKZMLY-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM CC[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820987597 587086502 /nfs/dbraw/zinc/08/65/02/587086502.db2.gz ABPUSTOHOKZMLY-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM O=C(CCCc1nn[n-]n1)N1CCCC12CCC2 ZINC000822479991 587171168 /nfs/dbraw/zinc/17/11/68/587171168.db2.gz VRWQSUAUHYZFAF-UHFFFAOYSA-N -1 1 249.318 1.068 20 0 BDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCF)C1 ZINC000825262458 587311663 /nfs/dbraw/zinc/31/16/63/587311663.db2.gz AWBNIFDEMIEXPF-BDAKNGLRSA-N -1 1 218.272 1.324 20 0 BDADMM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccco1 ZINC000825479679 587321098 /nfs/dbraw/zinc/32/10/98/587321098.db2.gz PGATZVZTMQMOFN-IUCAKERBSA-N -1 1 224.260 1.683 20 0 BDADMM CCCCC1(C(=O)N(C)c2nn[n-]n2)CC1 ZINC000825532720 587323753 /nfs/dbraw/zinc/32/37/53/587323753.db2.gz ZUKUPPAGXLNOIB-UHFFFAOYSA-N -1 1 223.280 1.133 20 0 BDADMM C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[O-] ZINC000825639921 587328442 /nfs/dbraw/zinc/32/84/42/587328442.db2.gz WPJIMXQPRIRHMK-SNVBAGLBSA-N -1 1 222.288 1.947 20 0 BDADMM C/C(=C\CN1CCOC[C@H]1CC(C)C)C(=O)[O-] ZINC000825747682 587336231 /nfs/dbraw/zinc/33/62/31/587336231.db2.gz WXVALHUVSNYZNI-KBVBDRTLSA-N -1 1 241.331 1.764 20 0 BDADMM C/C(=C/CN1CCOC[C@@H]1CC(C)C)C(=O)[O-] ZINC000825747683 587336524 /nfs/dbraw/zinc/33/65/24/587336524.db2.gz WXVALHUVSNYZNI-MCWZUMHDSA-N -1 1 241.331 1.764 20 0 BDADMM CCO[N-]C(=O)[C@H](N)c1ccccc1C ZINC000826088077 587350649 /nfs/dbraw/zinc/35/06/49/587350649.db2.gz JHSWDVMPQZORGZ-SNVBAGLBSA-N -1 1 208.261 1.063 20 0 BDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@H]3CCC[C@@H]32)c1 ZINC000826514676 587353545 /nfs/dbraw/zinc/35/35/45/587353545.db2.gz ZDDXKFWUSRUGRP-SCZZXKLOSA-N -1 1 242.286 1.250 20 0 BDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@H]3CCC[C@@H]32)c1 ZINC000826514676 587353546 /nfs/dbraw/zinc/35/35/46/587353546.db2.gz ZDDXKFWUSRUGRP-SCZZXKLOSA-N -1 1 242.286 1.250 20 0 BDADMM CCn1ccnc1CNCC(C)(C)NC(=O)[O-] ZINC000827707951 587398096 /nfs/dbraw/zinc/39/80/96/587398096.db2.gz YYYJIGMVEWQUSC-UHFFFAOYSA-N -1 1 240.307 1.039 20 0 BDADMM C[C@H](c1ccncc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827957170 587413047 /nfs/dbraw/zinc/41/30/47/587413047.db2.gz LDAIBEHFIZQZRT-SKDRFNHKSA-N -1 1 238.262 1.641 20 0 BDADMM CCCC[C@H](Sc1c[nH]nn1)C(=O)[O-] ZINC000829295821 587492016 /nfs/dbraw/zinc/49/20/16/587492016.db2.gz KUQQBKLGQVJJEF-LURJTMIESA-N -1 1 215.278 1.540 20 0 BDADMM CCCCC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] ZINC000829312393 587492240 /nfs/dbraw/zinc/49/22/40/587492240.db2.gz VVLJRWDQSUOCLK-ZCFIWIBFSA-N -1 1 241.209 1.698 20 0 BDADMM CCCCC[C@H](NC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000829327249 587492655 /nfs/dbraw/zinc/49/26/55/587492655.db2.gz YUUGKPGPKIXNLQ-UWVGGRQHSA-N -1 1 244.335 1.086 20 0 BDADMM CCCCOC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000829402392 587495826 /nfs/dbraw/zinc/49/58/26/587495826.db2.gz VLAMONGRNTXZRR-LBPRGKRZSA-N -1 1 243.303 1.126 20 0 BDADMM CCCCOCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829412722 587496477 /nfs/dbraw/zinc/49/64/77/587496477.db2.gz DBOBUCKOXZPCOF-NSHDSACASA-N -1 1 233.283 1.302 20 0 BDADMM CCC[C@@H](NC(=O)C(F)(F)CC)c1nn[n-]n1 ZINC000829800528 587517549 /nfs/dbraw/zinc/51/75/49/587517549.db2.gz HFGOKZDIZDTSDE-ZCFIWIBFSA-N -1 1 247.249 1.202 20 0 BDADMM Cc1cccc(CN(C)[C@H](C)CNC(=O)[O-])n1 ZINC000830498162 587554362 /nfs/dbraw/zinc/55/43/62/587554362.db2.gz MVQGMOIQEGKTRU-SNVBAGLBSA-N -1 1 237.303 1.478 20 0 BDADMM Cc1nc(C)c(CNC2CN(C(=O)[O-])C2)s1 ZINC000830726516 587565260 /nfs/dbraw/zinc/56/52/60/587565260.db2.gz BTBUDFXJRDVAAC-UHFFFAOYSA-N -1 1 241.316 1.212 20 0 BDADMM 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1.068 20 0 BDADMM [O-]c1ccc(-c2cnc3ncnn3c2)c(F)c1F ZINC001243342667 984831346 /nfs/dbraw/zinc/83/13/46/984831346.db2.gz NWRJPKQHLZMYOX-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM COCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451744404 984902629 /nfs/dbraw/zinc/90/26/29/984902629.db2.gz PHGZGVGXKQNQLH-UHFFFAOYSA-N -1 1 217.171 1.255 20 0 BDADMM O=C(Nc1cnn(CCF)c1)c1ccccc1[O-] ZINC001453499230 984997843 /nfs/dbraw/zinc/99/78/43/984997843.db2.gz DBXUVPBJYYJNKU-UHFFFAOYSA-N -1 1 249.245 1.811 20 0 BDADMM C[C@H](NCCCCCC(=O)[O-])c1ncco1 ZINC001589128078 985013463 /nfs/dbraw/zinc/01/34/63/985013463.db2.gz IPSABDQBSQRMLH-VIFPVBQESA-N -1 1 226.276 1.970 20 0 BDADMM CC[C@@H]1C[C@H]1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001578438392 985066082 /nfs/dbraw/zinc/06/60/82/985066082.db2.gz CFKFDJAZFPSBEG-BDAKNGLRSA-N -1 1 245.286 1.075 20 0 BDADMM [O-]c1cccc(-c2ncc3nc[nH]c3n2)c1F ZINC001243542197 985079365 /nfs/dbraw/zinc/07/93/65/985079365.db2.gz ITQODBWOXJHHHH-UHFFFAOYSA-N -1 1 230.202 1.816 20 0 BDADMM 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O=C(NC1CCOCC1)c1ccc(F)c([O-])c1 ZINC001464315175 986624166 /nfs/dbraw/zinc/62/41/66/986624166.db2.gz VPOVGABAVOINJO-UHFFFAOYSA-N -1 1 239.246 1.440 20 0 BDADMM O=C(Nc1c[nH]nn1)c1ccc([O-])c(Cl)c1 ZINC001467242438 986838955 /nfs/dbraw/zinc/83/89/55/986838955.db2.gz MSQVXCCRKJVBNB-UHFFFAOYSA-N -1 1 238.634 1.416 20 0 BDADMM O=C(NCc1ncccc1F)c1ccc([O-])cn1 ZINC001467754517 986867952 /nfs/dbraw/zinc/86/79/52/986867952.db2.gz IDVMNZXOGYRJGH-UHFFFAOYSA-N -1 1 247.229 1.251 20 0 BDADMM CCc1nc(CNC(=O)c2ccc([O-])cn2)co1 ZINC001468125860 986887210 /nfs/dbraw/zinc/88/72/10/986887210.db2.gz KPBNMGOCJKKEGA-UHFFFAOYSA-N -1 1 247.254 1.268 20 0 BDADMM CCC1CN(C(=O)c2ccc([O-])cn2)C1 ZINC001468780585 986935677 /nfs/dbraw/zinc/93/56/77/986935677.db2.gz YRTMKVNIINNMBP-UHFFFAOYSA-N -1 1 206.245 1.269 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2c(c1)NCC2 ZINC001580757269 987034166 /nfs/dbraw/zinc/03/41/66/987034166.db2.gz POABEXROIKNBHM-UHFFFAOYSA-N -1 1 244.254 1.336 20 0 BDADMM CN(C(=O)C=CC=C(Cl)Cl)c1nn[n-]n1 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490098119 /nfs/dbraw/zinc/09/81/19/490098119.db2.gz GYFCYQIMBLAJJL-STQMWFEESA-N -1 1 247.294 1.459 20 0 BDADMM Cc1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC000095340991 490227249 /nfs/dbraw/zinc/22/72/49/490227249.db2.gz SWHCGFDVRPKUJO-UHFFFAOYSA-N -1 1 231.259 1.079 20 0 BDADMM O=C(CCCc1cccs1)Nc1nnn[n-]1 ZINC000074394210 490302044 /nfs/dbraw/zinc/30/20/44/490302044.db2.gz SHSVQAWPPRRFKP-UHFFFAOYSA-N -1 1 237.288 1.223 20 0 BDADMM O=C(CCCc1cccs1)Nc1nn[n-]n1 ZINC000074394210 490302050 /nfs/dbraw/zinc/30/20/50/490302050.db2.gz SHSVQAWPPRRFKP-UHFFFAOYSA-N -1 1 237.288 1.223 20 0 BDADMM CSCC(C)(C)[N-]C(=O)C(F)(F)F ZINC000890875957 582585982 /nfs/dbraw/zinc/58/59/82/582585982.db2.gz ATJGPRVGOBTCTJ-UHFFFAOYSA-N -1 1 215.240 1.807 20 0 BDADMM COCc1nc(N2CC[C@@H](C)C2)cc(=O)[n-]1 ZINC000892253990 582813718 /nfs/dbraw/zinc/81/37/18/582813718.db2.gz JODYIWOJZBFWSR-MRVPVSSYSA-N -1 1 223.276 1.175 20 0 BDADMM CCC[C@@H](C)CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000348294926 535324504 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C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C ZINC000820776953 587071970 /nfs/dbraw/zinc/07/19/70/587071970.db2.gz OBUHRTAXOIUMBC-RKDXNWHRSA-N -1 1 244.302 1.354 20 0 BDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C ZINC000820776953 587071971 /nfs/dbraw/zinc/07/19/71/587071971.db2.gz OBUHRTAXOIUMBC-RKDXNWHRSA-N -1 1 244.302 1.354 20 0 BDADMM Cc1cc(CN2CCC[C@H]2C(=O)[O-])c(C)o1 ZINC000820976653 587085770 /nfs/dbraw/zinc/08/57/70/587085770.db2.gz PCRPXRRNJKPBSN-NSHDSACASA-N -1 1 223.272 1.945 20 0 BDADMM CCC[C@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000821040191 587090635 /nfs/dbraw/zinc/09/06/35/587090635.db2.gz JVLSZWWGPDKOQJ-WCBMZHEXSA-N -1 1 244.302 1.862 20 0 BDADMM CCC[C@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000821040191 587090637 /nfs/dbraw/zinc/09/06/37/587090637.db2.gz JVLSZWWGPDKOQJ-WCBMZHEXSA-N -1 1 244.302 1.862 20 0 BDADMM CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821343487 587109275 /nfs/dbraw/zinc/10/92/75/587109275.db2.gz ONEHKFYAJHNURR-UHFFFAOYSA-N -1 1 224.245 1.105 20 0 BDADMM CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821343487 587109277 /nfs/dbraw/zinc/10/92/77/587109277.db2.gz ONEHKFYAJHNURR-UHFFFAOYSA-N -1 1 224.245 1.105 20 0 BDADMM O=C([O-])[C@H]1CCC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000821509159 587123494 /nfs/dbraw/zinc/12/34/94/587123494.db2.gz JRWMMGWDICZUJS-GFCCVEGCSA-N -1 1 245.282 1.612 20 0 BDADMM CC(C)[C@H](CO)O[N-]C(=O)C1(C)CC=CC1 ZINC000821741807 587136777 /nfs/dbraw/zinc/13/67/77/587136777.db2.gz SXNMSMADRIHVSE-JTQLQIEISA-N -1 1 227.304 1.407 20 0 BDADMM CC1(C(=O)[N-]OCC(F)F)CC(F)(F)C1 ZINC000821936765 587147050 /nfs/dbraw/zinc/14/70/50/587147050.db2.gz DPWMVTPZXUGXKC-UHFFFAOYSA-N -1 1 229.173 1.735 20 0 BDADMM Fc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000822775617 587185634 /nfs/dbraw/zinc/18/56/34/587185634.db2.gz YKPDZUDJTWRMKW-UHFFFAOYSA-N -1 1 244.233 1.251 20 0 BDADMM Fc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000822775617 587185635 /nfs/dbraw/zinc/18/56/35/587185635.db2.gz YKPDZUDJTWRMKW-UHFFFAOYSA-N -1 1 244.233 1.251 20 0 BDADMM CC1(C(=O)[N-]OCC2CC2)CC(F)(F)C1 ZINC000823144831 587205416 /nfs/dbraw/zinc/20/54/16/587205416.db2.gz KUVDVRGBBPSBGQ-UHFFFAOYSA-N -1 1 219.231 1.880 20 0 BDADMM c1nc(-c2nn[n-]n2)nn1CCCC1CCCC1 ZINC000823816247 587241491 /nfs/dbraw/zinc/24/14/91/587241491.db2.gz QTDIYMSSIFFQAL-UHFFFAOYSA-N -1 1 247.306 1.429 20 0 BDADMM c1cc(-c2nnn[n-]2)oc1C[N@@H+]1CC=CCC1 ZINC000823874832 587245307 /nfs/dbraw/zinc/24/53/07/587245307.db2.gz ZFMKDMAVMPGNAI-UHFFFAOYSA-N -1 1 231.259 1.222 20 0 BDADMM C[C@H](C[N@@H+](C)CCNC(=O)[O-])c1ccccc1 ZINC000824902983 587292447 /nfs/dbraw/zinc/29/24/47/587292447.db2.gz SHCRGLPFRKKLCH-LLVKDONJSA-N -1 1 236.315 1.990 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824906449 587293019 /nfs/dbraw/zinc/29/30/19/587293019.db2.gz BPQIWZYIQHWTEP-YUMQZZPRSA-N -1 1 245.290 1.034 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824906449 587293020 /nfs/dbraw/zinc/29/30/20/587293020.db2.gz BPQIWZYIQHWTEP-YUMQZZPRSA-N -1 1 245.290 1.034 20 0 BDADMM C[C@@H]1CC[C@H](C)N1c1cccc(-c2nnn[n-]2)n1 ZINC000824907609 587293163 /nfs/dbraw/zinc/29/31/63/587293163.db2.gz JMYXCEURDUKYPT-DTORHVGOSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H]1CC[C@H](C)N1c1cccc(-c2nn[n-]n2)n1 ZINC000824907609 587293165 /nfs/dbraw/zinc/29/31/65/587293165.db2.gz JMYXCEURDUKYPT-DTORHVGOSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825644300 587328477 /nfs/dbraw/zinc/32/84/77/587328477.db2.gz ANLONEOOWRPSCO-WDEREUQCSA-N -1 1 249.314 1.875 20 0 BDADMM C[C@@H](c1ccccn1)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000825644300 587328479 /nfs/dbraw/zinc/32/84/79/587328479.db2.gz ANLONEOOWRPSCO-WDEREUQCSA-N -1 1 249.314 1.875 20 0 BDADMM C/C(=C/CN1CCOC[C@H]1CC(C)C)C(=O)[O-] ZINC000825747681 587336516 /nfs/dbraw/zinc/33/65/16/587336516.db2.gz WXVALHUVSNYZNI-CSXHZRMWSA-N -1 1 241.331 1.764 20 0 BDADMM C[C@H]1CN(CCNC(=O)[O-])[C@@H]1c1ccccc1 ZINC000826056079 587349946 /nfs/dbraw/zinc/34/99/46/587349946.db2.gz AZYZSTJXOHXFPG-JQWIXIFHSA-N -1 1 234.299 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BDADMM c1cc(-c2nn[n-]n2)nnc1NC1CCCC1 ZINC000826514356 587353646 /nfs/dbraw/zinc/35/36/46/587353646.db2.gz PCEHLFBFSXEALT-UHFFFAOYSA-N -1 1 231.263 1.011 20 0 BDADMM c1cc(-c2nnn[n-]2)nnc1SC1CCCC1 ZINC000826515054 587353833 /nfs/dbraw/zinc/35/38/33/587353833.db2.gz LGMXORVVVXOKFL-UHFFFAOYSA-N -1 1 248.315 1.691 20 0 BDADMM c1cc(-c2nn[n-]n2)nnc1SC1CCCC1 ZINC000826515054 587353834 /nfs/dbraw/zinc/35/38/34/587353834.db2.gz LGMXORVVVXOKFL-UHFFFAOYSA-N -1 1 248.315 1.691 20 0 BDADMM c1cc(-c2nnn[n-]2)nnc1NC1CCCCC1 ZINC000826514551 587353912 /nfs/dbraw/zinc/35/39/12/587353912.db2.gz VRBHRVFRNFEZBM-UHFFFAOYSA-N -1 1 245.290 1.401 20 0 BDADMM c1cc(-c2nn[n-]n2)nnc1NC1CCCCC1 ZINC000826514551 587353913 /nfs/dbraw/zinc/35/39/13/587353913.db2.gz VRBHRVFRNFEZBM-UHFFFAOYSA-N -1 1 245.290 1.401 20 0 BDADMM CCC(CC)(CC(=O)[O-])NCc1nc(C)no1 ZINC000828804425 587462897 /nfs/dbraw/zinc/46/28/97/587462897.db2.gz LXDLPCHEFZKUCA-UHFFFAOYSA-N -1 1 241.291 1.501 20 0 BDADMM CCCCOCCN1CC[C@](F)(C(=O)[O-])C1 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/nfs/dbraw/zinc/74/43/39/973744339.db2.gz NYMBNNMBZIEICB-UHFFFAOYSA-N -1 1 246.255 1.062 20 0 BDADMM CC(=O)c1ccc([O-])cc1OC1COCOC1 ZINC001225616764 974594377 /nfs/dbraw/zinc/59/43/77/974594377.db2.gz PFXIDFBYBYEEDA-UHFFFAOYSA-N -1 1 238.239 1.347 20 0 BDADMM O=c1cc(OC[C@H]2CCC=CO2)[nH]c(=S)[n-]1 ZINC001225765534 974672741 /nfs/dbraw/zinc/67/27/41/974672741.db2.gz MPBJQJKJMUWUFF-SSDOTTSWSA-N -1 1 240.284 1.542 20 0 BDADMM CCCOC[C@@H](C)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225766441 974674630 /nfs/dbraw/zinc/67/46/30/974674630.db2.gz SYLDPIXKYHQNJW-SSDOTTSWSA-N -1 1 244.316 1.665 20 0 BDADMM Cc1cc(=O)[nH]c(O[C@H](C)C2=CC=C[CH]2)n1 ZINC001226159202 974813773 /nfs/dbraw/zinc/81/37/73/974813773.db2.gz IVNYATDTDSGTET-SECBINFHSA-N -1 1 217.248 1.958 20 0 BDADMM CCO[C@@H](C)COc1nc(=O)[n-]cc1C(C)=O ZINC001226237942 974832763 /nfs/dbraw/zinc/83/27/63/974832763.db2.gz ODSHIIRUQRAQOJ-ZETCQYMHSA-N -1 1 240.259 1.189 20 0 BDADMM Cc1nnsc1CN(C)C(C)(C)CC(=O)[O-] ZINC001331935012 974878409 /nfs/dbraw/zinc/87/84/09/974878409.db2.gz ZWVMQKSICVDYQG-UHFFFAOYSA-N -1 1 243.332 1.532 20 0 BDADMM FC(F)c1ccc(COCc2nn[n-]n2)cc1 ZINC001331983499 974904351 /nfs/dbraw/zinc/90/43/51/974904351.db2.gz HMPMNZYWINROPH-UHFFFAOYSA-N -1 1 240.213 1.854 20 0 BDADMM CO[C@@H](CNCc1cccc(F)c1F)C(=O)[O-] ZINC001332016727 974921449 /nfs/dbraw/zinc/92/14/49/974921449.db2.gz ARZZTXWJDAHKQU-VIFPVBQESA-N -1 1 245.225 1.154 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)c1ccncc1 ZINC001332133276 974968916 /nfs/dbraw/zinc/96/89/16/974968916.db2.gz CTFYJLCJBFPHHF-ZETCQYMHSA-N -1 1 246.270 1.561 20 0 BDADMM COc1c[n-]c(=O)nc1O[C@H]1CCO[C@H](C)C1 ZINC001226824731 975101802 /nfs/dbraw/zinc/10/18/02/975101802.db2.gz AAYGVAZJKQMPDQ-SFYZADRCSA-N -1 1 240.259 1.137 20 0 BDADMM C[C@H]1CCC[C@@H](CCOCc2nn[n-]n2)C1 ZINC001332448370 975132121 /nfs/dbraw/zinc/13/21/21/975132121.db2.gz VJTSEQCKLYLVIK-UWVGGRQHSA-N -1 1 224.308 1.933 20 0 BDADMM CCCCOC[C@H](C)Oc1cnc[n-]c1=O ZINC001227049249 975234927 /nfs/dbraw/zinc/23/49/27/975234927.db2.gz SWNQNNDHEAYFMB-VIFPVBQESA-N -1 1 226.276 1.766 20 0 BDADMM C[C@@H](Oc1cnc[n-]c1=O)c1cncnc1 ZINC001227048840 975236180 /nfs/dbraw/zinc/23/61/80/975236180.db2.gz LMGWOOKRPRTPQK-SSDOTTSWSA-N -1 1 218.216 1.112 20 0 BDADMM CCC(CC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227434468 975405620 /nfs/dbraw/zinc/40/56/20/975405620.db2.gz MWEAUAAKNPCWSW-UHFFFAOYSA-N -1 1 238.247 1.332 20 0 BDADMM C[C@H](CN(Cc1cc[nH]n1)C1CC1)C(=O)[O-] ZINC001333136720 975483818 /nfs/dbraw/zinc/48/38/18/975483818.db2.gz OTIZCEVEOHOEJI-MRVPVSSYSA-N -1 1 223.276 1.095 20 0 BDADMM C[C@@H](Oc1ncnc2nc[nH]c21)C1=CC=C[CH]1 ZINC001227535776 975518123 /nfs/dbraw/zinc/51/81/23/975518123.db2.gz WABUTVGZYQYFHG-MRVPVSSYSA-N -1 1 227.247 1.821 20 0 BDADMM CCCCC[C@H](C)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227566074 975549448 /nfs/dbraw/zinc/54/94/48/975549448.db2.gz FFJYMUYUWPBAID-ZETCQYMHSA-N -1 1 227.264 1.630 20 0 BDADMM CCCC[C@H](C)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227565956 975550695 /nfs/dbraw/zinc/55/06/95/975550695.db2.gz DIWNRFKBZWALHB-LURJTMIESA-N -1 1 213.237 1.240 20 0 BDADMM CCCC(CCC)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227570515 975562044 /nfs/dbraw/zinc/56/20/44/975562044.db2.gz LWNKABSWXRNLPO-UHFFFAOYSA-N -1 1 227.264 1.630 20 0 BDADMM CSc1nc(OC(C)C)cc(=O)[n-]1 ZINC001228090427 975903199 /nfs/dbraw/zinc/90/31/99/975903199.db2.gz KXLCBGVUFVUGJL-UHFFFAOYSA-N -1 1 200.263 1.691 20 0 BDADMM COCc1cccc([N-]c2nnco2)c1 ZINC001174091792 976284067 /nfs/dbraw/zinc/28/40/67/976284067.db2.gz GATWJNIIRKWABZ-UHFFFAOYSA-N -1 1 205.217 1.960 20 0 BDADMM C[C@H]1C[C@H](Oc2cnnc(=S)[n-]2)CCO1 ZINC001228637886 976399149 /nfs/dbraw/zinc/39/91/49/976399149.db2.gz ZVNMSPFJPWAOBM-NKWVEPMBSA-N -1 1 227.289 1.107 20 0 BDADMM Cc1c(Nc2cc(=O)[n-]c(N(C)C)n2)cnn1C ZINC001174388228 976636963 /nfs/dbraw/zinc/63/69/63/976636963.db2.gz DYSMNJWOSSEVAN-UHFFFAOYSA-N -1 1 248.290 1.034 20 0 BDADMM CC(C)(O)c1cccc([N-]c2nonc2N)c1 ZINC001174404618 976689245 /nfs/dbraw/zinc/68/92/45/976689245.db2.gz 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GAIXWOYFUMXJCJ-SECBINFHSA-N -1 1 224.260 1.198 20 0 BDADMM CC(C)([N-]C(=O)C(C)(F)F)[C@@H](O)C(F)(F)F ZINC001336601861 977806371 /nfs/dbraw/zinc/80/63/71/977806371.db2.gz VCRMCUWDVZSAPM-SCSAIBSYSA-N -1 1 249.179 1.460 20 0 BDADMM O=C([O-])C1(NCc2csnn2)CCCC1 ZINC001594882184 977872164 /nfs/dbraw/zinc/87/21/64/977872164.db2.gz HUIWZBDBGUPVMM-UHFFFAOYSA-N -1 1 227.289 1.025 20 0 BDADMM O=C([O-])[C@H]1CCCN(Cc2ccncc2F)C1 ZINC001595198308 977991204 /nfs/dbraw/zinc/99/12/04/977991204.db2.gz XSKHKIRHYYMGIR-JTQLQIEISA-N -1 1 238.262 1.517 20 0 BDADMM COc1nonc1[N-]c1ccc2nonc2c1 ZINC001176321113 978041628 /nfs/dbraw/zinc/04/16/28/978041628.db2.gz OLBIYJJUHFRRSE-UHFFFAOYSA-N -1 1 233.187 1.358 20 0 BDADMM Cc1ncn(-c2csc(C(=O)[O-])c2)c1N ZINC001176437371 978065839 /nfs/dbraw/zinc/06/58/39/978065839.db2.gz XBWLDSGWVSZFFJ-UHFFFAOYSA-N -1 1 223.257 1.523 20 0 BDADMM CC[C@@H](C)[C@@H](C)NC(=O)c1cnncc1O ZINC001337034864 978136989 /nfs/dbraw/zinc/13/69/89/978136989.db2.gz BYKADZYZWVTKDH-HTQZYQBOSA-N -1 1 223.276 1.347 20 0 BDADMM O=C(c1cnncc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001337393656 978319221 /nfs/dbraw/zinc/31/92/21/978319221.db2.gz OOSHSEBJGICLQA-AOOOYVTPSA-N -1 1 245.282 1.220 20 0 BDADMM C[C@H]1CN(Cc2ccc(F)c([O-])c2F)C[C@@H]1O ZINC001232932010 978341396 /nfs/dbraw/zinc/34/13/96/978341396.db2.gz VMHACMCHSUHCPQ-XVKPBYJWSA-N -1 1 243.253 1.483 20 0 BDADMM COC1(C)CN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970965 978372437 /nfs/dbraw/zinc/37/24/37/978372437.db2.gz OVHCCJKRBPZPTC-UHFFFAOYSA-N -1 1 243.253 1.891 20 0 BDADMM [O-]c1cc(CN2C[C@H]3C[C@@H](C2)O3)cc(F)c1F ZINC001232971959 978375419 /nfs/dbraw/zinc/37/54/19/978375419.db2.gz DEJBZMZFOHBDQC-DTORHVGOSA-N -1 1 241.237 1.644 20 0 BDADMM Cc1occc1CNC(=O)c1ccc([O-])cn1 ZINC001598367573 978425838 /nfs/dbraw/zinc/42/58/38/978425838.db2.gz CYBWFCJRRKWVQG-UHFFFAOYSA-N -1 1 232.239 1.619 20 0 BDADMM CN(C(=O)[C@@H]1CCCC2(CC2)C1)c1nn[n-]n1 ZINC001338076060 978606285 /nfs/dbraw/zinc/60/62/85/978606285.db2.gz LVDMSLJCRUMEEL-MRVPVSSYSA-N -1 1 235.291 1.133 20 0 BDADMM Cc1cc([C@@H](C)N[C@H]2CC=C(C(=O)[O-])C2)no1 ZINC001600144266 978671062 /nfs/dbraw/zinc/67/10/62/978671062.db2.gz WZKFORPKNWYTEY-SCZZXKLOSA-N -1 1 236.271 1.807 20 0 BDADMM CC[C@H]1CCCCN1C(=O)c1cnncc1O ZINC001338432451 978681409 /nfs/dbraw/zinc/68/14/09/978681409.db2.gz RPUCPRJZOHOOSG-VIFPVBQESA-N -1 1 235.287 1.587 20 0 BDADMM CC[C@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001338432451 978681416 /nfs/dbraw/zinc/68/14/16/978681416.db2.gz RPUCPRJZOHOOSG-VIFPVBQESA-N -1 1 235.287 1.587 20 0 BDADMM COC(=O)c1nc[n-]c(=O)c1O[C@H](C)C(C)C ZINC001233759949 978690262 /nfs/dbraw/zinc/69/02/62/978690262.db2.gz SPFVFPUSQBEZDM-SSDOTTSWSA-N -1 1 240.259 1.392 20 0 BDADMM Cc1ccccc1[C@H](C(=O)[O-])N1CC[C@@H]1CO ZINC001600570640 978700658 /nfs/dbraw/zinc/70/06/58/978700658.db2.gz YQKVFMQEEMYFFN-ZYHUDNBSSA-N -1 1 235.283 1.187 20 0 BDADMM Cc1nc([C@H](C)SC[C@H](C)C(=O)[O-])n[nH]1 ZINC001600667052 978715940 /nfs/dbraw/zinc/71/59/40/978715940.db2.gz PPKJCNNNEDCIHW-WDSKDSINSA-N -1 1 229.305 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O=C([O-])c1occc1CN1CCc2cn[nH]c2C1 ZINC001602590874 979136285 /nfs/dbraw/zinc/13/62/85/979136285.db2.gz LXEQVUQTMAGLJM-UHFFFAOYSA-N -1 1 247.254 1.259 20 0 BDADMM C1=CCC(CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001602748860 979213729 /nfs/dbraw/zinc/21/37/29/979213729.db2.gz HTOVLALSUHDDKZ-UHFFFAOYSA-N -1 1 242.286 1.640 20 0 BDADMM C1=CCC(CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001602748860 979213738 /nfs/dbraw/zinc/21/37/38/979213738.db2.gz HTOVLALSUHDDKZ-UHFFFAOYSA-N -1 1 242.286 1.640 20 0 BDADMM C1=CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001602748547 979214215 /nfs/dbraw/zinc/21/42/15/979214215.db2.gz CCPQQADMRDUPLT-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM C1=CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001602748547 979214230 /nfs/dbraw/zinc/21/42/30/979214230.db2.gz CCPQQADMRDUPLT-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM C1=C[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001602747212 979215779 /nfs/dbraw/zinc/21/57/79/979215779.db2.gz YUIIIIPLBCWSHB-MRVPVSSYSA-N -1 1 243.274 1.035 20 0 BDADMM 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C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001603683667 979497600 /nfs/dbraw/zinc/49/76/00/979497600.db2.gz OKNWDARGWVDJGX-YFKPBYRVSA-N -1 1 240.217 1.327 20 0 BDADMM CC(C)C(N)=NOCc1cc(C(=O)[O-])co1 ZINC001603731013 979507291 /nfs/dbraw/zinc/50/72/91/979507291.db2.gz SSRIVAPYVMNWQN-UHFFFAOYSA-N -1 1 226.232 1.632 20 0 BDADMM CC1(C)C[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001603766982 979517570 /nfs/dbraw/zinc/51/75/70/979517570.db2.gz SPPGEEWXVARQRD-ZETCQYMHSA-N -1 1 245.290 1.115 20 0 BDADMM CC1(C)C[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001603766982 979517577 /nfs/dbraw/zinc/51/75/77/979517577.db2.gz SPPGEEWXVARQRD-ZETCQYMHSA-N -1 1 245.290 1.115 20 0 BDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](F)C2)O1 ZINC001604609973 979684585 /nfs/dbraw/zinc/68/45/85/979684585.db2.gz JKMHZYMTYYUBEE-ZJUUUORDSA-N -1 1 243.278 1.568 20 0 BDADMM CC1CN(Cc2cc(C(=O)[O-])n(C)c2)C1 ZINC001604797825 979725279 /nfs/dbraw/zinc/72/52/79/979725279.db2.gz MSNZTARJGOFLAF-UHFFFAOYSA-N -1 1 208.261 1.175 20 0 BDADMM 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/nfs/dbraw/zinc/91/82/18/982918218.db2.gz IVIZCFRYKZQOGC-QMMMGPOBSA-N -1 1 221.260 1.054 20 0 BDADMM C/C=C\CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590352182 982926857 /nfs/dbraw/zinc/92/68/57/982926857.db2.gz BITCWJHWBGHWGE-ARJAWSKDSA-N -1 1 230.275 1.558 20 0 BDADMM CCC(C)(C)CNc1ncncc1-c1nn[n-]n1 ZINC001590375686 982928565 /nfs/dbraw/zinc/92/85/65/982928565.db2.gz QFGSFINWDCVJRJ-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM C/C=C\CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590355288 982930297 /nfs/dbraw/zinc/93/02/97/982930297.db2.gz QSJPLDXEVSCNAN-ARJAWSKDSA-N -1 1 230.275 1.558 20 0 BDADMM C/C=C\CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590355288 982930312 /nfs/dbraw/zinc/93/03/12/982930312.db2.gz QSJPLDXEVSCNAN-ARJAWSKDSA-N -1 1 230.275 1.558 20 0 BDADMM CCCCCCn1cc(-c2nn[n-]n2)nn1 ZINC001590595379 982965590 /nfs/dbraw/zinc/96/55/90/982965590.db2.gz AZOPPSTZYZSQLU-UHFFFAOYSA-N -1 1 221.268 1.039 20 0 BDADMM CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591225352 983053771 /nfs/dbraw/zinc/05/37/71/983053771.db2.gz 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242.286 1.336 20 0 BDADMM Cc1ccc(NCCC2CC2)nc1-c1nnn[n-]1 ZINC001592183582 983115970 /nfs/dbraw/zinc/11/59/70/983115970.db2.gz UUMBUJXMPNVZSV-UHFFFAOYSA-N -1 1 244.302 1.782 20 0 BDADMM Cc1ccc(NCCC2CC2)nc1-c1nn[n-]n1 ZINC001592183582 983115972 /nfs/dbraw/zinc/11/59/72/983115972.db2.gz UUMBUJXMPNVZSV-UHFFFAOYSA-N -1 1 244.302 1.782 20 0 BDADMM CCn1ccc(NC(=O)c2ccc([O-])cn2)n1 ZINC001300493924 983121779 /nfs/dbraw/zinc/12/17/79/983121779.db2.gz ZVCKUSIUKPETHF-UHFFFAOYSA-N -1 1 232.243 1.256 20 0 BDADMM O=C(NC1CCC1)c1ccsc1-c1nnn[n-]1 ZINC001592973615 983225912 /nfs/dbraw/zinc/22/59/12/983225912.db2.gz CBKGEPFZWFGSOH-UHFFFAOYSA-N -1 1 249.299 1.211 20 0 BDADMM O=C(NC1CCC1)c1ccsc1-c1nn[n-]n1 ZINC001592973615 983225920 /nfs/dbraw/zinc/22/59/20/983225920.db2.gz CBKGEPFZWFGSOH-UHFFFAOYSA-N -1 1 249.299 1.211 20 0 BDADMM COCc1nc(N[C@@H](C)C2(C)CC2)cc(=O)[n-]1 ZINC001354289841 983259647 /nfs/dbraw/zinc/25/96/47/983259647.db2.gz JTLLHFOFEQSASS-QMMMGPOBSA-N -1 1 237.303 1.929 20 0 BDADMM Cc1cnn(C)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001300688483 983341750 /nfs/dbraw/zinc/34/17/50/983341750.db2.gz BZVOOQFRIPUEAR-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM NCc1ncc(-c2cccc(CC(=O)[O-])c2)cn1 ZINC001242262109 983486115 /nfs/dbraw/zinc/48/61/15/983486115.db2.gz HUANXXGXHUIPME-UHFFFAOYSA-N -1 1 243.266 1.229 20 0 BDADMM Cc1cccc(-c2ncc(N)cn2)c1[O-] ZINC001242346353 983605310 /nfs/dbraw/zinc/60/53/10/983605310.db2.gz CMHNKQGUJHTEEL-UHFFFAOYSA-N -1 1 201.229 1.740 20 0 BDADMM [O-]c1c(F)cccc1-c1ncc2c(n1)CNC2 ZINC001242349208 983613097 /nfs/dbraw/zinc/61/30/97/983613097.db2.gz DYVZZAKEVJTECR-UHFFFAOYSA-N -1 1 231.230 1.592 20 0 BDADMM CCN(C(=O)c1cnncc1[O-])C1CCCCC1 ZINC001357561397 983737720 /nfs/dbraw/zinc/73/77/20/983737720.db2.gz TXZKUISBPJABNP-UHFFFAOYSA-N -1 1 249.314 1.977 20 0 BDADMM CCN(CCC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC001596316162 983748806 /nfs/dbraw/zinc/74/88/06/983748806.db2.gz XLIFCORGNSLRSZ-UHFFFAOYSA-N -1 1 247.298 1.860 20 0 BDADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnncc1[O-] ZINC001358436767 983869299 /nfs/dbraw/zinc/86/92/99/983869299.db2.gz LFCCOLMIFHTPCE-PBINXNQUSA-N -1 1 247.298 1.585 20 0 BDADMM Cc1oncc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242601271 983945808 /nfs/dbraw/zinc/94/58/08/983945808.db2.gz RFEJTZGNXKCSKB-UHFFFAOYSA-N -1 1 243.222 1.237 20 0 BDADMM NC(=O)c1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242796899 984165920 /nfs/dbraw/zinc/16/59/20/984165920.db2.gz BZFMJEGNABCIFW-UHFFFAOYSA-N -1 1 249.657 1.602 20 0 BDADMM Cn1cc(-c2cccc([O-])c2Cl)cnc1=O ZINC001242801228 984174682 /nfs/dbraw/zinc/17/46/82/984174682.db2.gz UTROJJAVNXNSSI-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM CCOC(=O)[C@H](C)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001596518781 984310635 /nfs/dbraw/zinc/31/06/35/984310635.db2.gz FZUAMGDLXCBINE-JOYOIKCWSA-N -1 1 243.303 1.125 20 0 BDADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1cccnc1 ZINC001443939339 984536888 /nfs/dbraw/zinc/53/68/88/984536888.db2.gz AVBWFSDMONBGGA-VIFPVBQESA-N -1 1 243.266 1.673 20 0 BDADMM O=C(NOCC1CCC1)c1ccc([O-])cn1 ZINC001453740613 985006831 /nfs/dbraw/zinc/00/68/31/985006831.db2.gz UZJBRSBDAMLDNN-UHFFFAOYSA-N -1 1 222.244 1.249 20 0 BDADMM CCCc1[nH]ccc1C(=O)Nc1c[n-][nH]c1=O ZINC001457830913 985245453 /nfs/dbraw/zinc/24/54/53/985245453.db2.gz UCXGLRNJFFTGGQ-UHFFFAOYSA-N -1 1 234.259 1.648 20 0 BDADMM CNc1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001578759501 985328388 /nfs/dbraw/zinc/32/83/88/985328388.db2.gz UCMFXVCRBBPPBW-UHFFFAOYSA-N -1 1 244.254 1.476 20 0 BDADMM CCO[N-]C(=O)[C@@H](c1ccccc1)N(C)C ZINC000194229004 985740519 /nfs/dbraw/zinc/74/05/19/985740519.db2.gz NRBGXCRHUBFWJF-LLVKDONJSA-N -1 1 222.288 1.357 20 0 BDADMM Cc1nc[nH]c1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599967652 985938258 /nfs/dbraw/zinc/93/82/58/985938258.db2.gz LCEMFULEBSKWHY-UHFFFAOYSA-N -1 1 248.242 1.007 20 0 BDADMM CSc1nc(NC[C@@H](O)C(C)C)cc(=O)[n-]1 ZINC001253754107 986377679 /nfs/dbraw/zinc/37/76/79/986377679.db2.gz ZXPVFJCGGKUDIO-SSDOTTSWSA-N -1 1 243.332 1.333 20 0 BDADMM O=C(NCC1CC1)c1cccc([O-])c1F 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C[C@@H]1[C@H](C(=O)Nc2nn[n-]n2)[C@H]1c1ccccc1 ZINC000435703693 201282911 /nfs/dbraw/zinc/28/29/11/201282911.db2.gz CBBIBUDXIWLRGB-SFGNSQDASA-N -1 1 243.270 1.188 20 0 BDADMM O=C(NCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000436766733 201335608 /nfs/dbraw/zinc/33/56/08/201335608.db2.gz FJVXENAJCYZQNR-UHFFFAOYSA-N -1 1 247.172 1.253 20 0 BDADMM Cc1c[nH]c(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000436950973 201341823 /nfs/dbraw/zinc/34/18/23/201341823.db2.gz QOPMBRBHTLLEOI-UHFFFAOYSA-N -1 1 245.238 1.245 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(C(=O)C2CC2)CC1 ZINC000615225826 364645759 /nfs/dbraw/zinc/64/57/59/364645759.db2.gz GVBNFZLSLCCRPA-UHFFFAOYSA-N -1 1 249.270 1.122 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)C1CC1 ZINC000615227371 364645797 /nfs/dbraw/zinc/64/57/97/364645797.db2.gz PPSIQBGBIJXIOS-YFKPBYRVSA-N -1 1 209.249 1.408 20 0 BDADMM Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])n1 ZINC000300001464 364841218 /nfs/dbraw/zinc/84/12/18/364841218.db2.gz QELWTDBIAVBIFD-DLOVCJGASA-N -1 1 249.314 1.105 20 0 BDADMM O=C(C1CCCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000095122834 541388317 /nfs/dbraw/zinc/38/83/17/541388317.db2.gz JYOZWHLZBDXHGY-JTQLQIEISA-N -1 1 249.318 1.096 20 0 BDADMM CCO[C@@H](CC)C(=O)Nc1nc(SC)n[nH]1 ZINC000573663981 364886542 /nfs/dbraw/zinc/88/65/42/364886542.db2.gz DHTILCNOMZDWDW-LURJTMIESA-N -1 1 244.320 1.280 20 0 BDADMM COCc1nc(=N[C@H]2CCC[C@@H](F)C2)s[n-]1 ZINC000574077018 364982551 /nfs/dbraw/zinc/98/25/51/364982551.db2.gz QSSPFYMBLCLKKS-SFYZADRCSA-N -1 1 245.323 1.799 20 0 BDADMM COC(=O)c1nc[nH]c1NC(=O)C1CC=CC1 ZINC000575193130 365236667 /nfs/dbraw/zinc/23/66/67/365236667.db2.gz ZTOLEHNEKWLXSM-UHFFFAOYSA-N -1 1 235.243 1.101 20 0 BDADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000575821800 365375236 /nfs/dbraw/zinc/37/52/36/365375236.db2.gz KEMMIMULWHNCBH-VHSXEESVSA-N -1 1 232.283 1.624 20 0 BDADMM Cc1ncsc1CN(C)[C@@H](C(=O)[O-])C1CC1 ZINC000084094992 368849423 /nfs/dbraw/zinc/84/94/23/368849423.db2.gz VSMZEUIQBFZWPX-SNVBAGLBSA-N -1 1 240.328 1.747 20 0 BDADMM C[C@H](OCC1CC1)C(=O)Nc1ccncc1[O-] ZINC000109891185 369558088 /nfs/dbraw/zinc/55/80/88/369558088.db2.gz UIKOTJJKMSGUQP-QMMMGPOBSA-N -1 1 236.271 1.541 20 0 BDADMM CCn1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1 ZINC000627510762 371670667 /nfs/dbraw/zinc/67/06/67/371670667.db2.gz BWLGGBCGMLOKGX-UHFFFAOYSA-N -1 1 249.274 1.201 20 0 BDADMM O=C([N-]c1cnoc1)c1cnc(Cl)cn1 ZINC000230073353 371822365 /nfs/dbraw/zinc/82/23/65/371822365.db2.gz NLMKCWRBYVQUPJ-UHFFFAOYSA-N -1 1 224.607 1.370 20 0 BDADMM Cc1cc(S(=O)(=O)[N-]CCCF)sn1 ZINC000632118104 372766451 /nfs/dbraw/zinc/76/64/51/372766451.db2.gz GFEHIVYHLRFCIZ-UHFFFAOYSA-N -1 1 238.309 1.089 20 0 BDADMM O=C(c1cncc([O-])c1)N1CC[C@@H]1C(F)F ZINC000633241278 373397969 /nfs/dbraw/zinc/39/79/69/373397969.db2.gz RCRTXSOTFZWUSB-MRVPVSSYSA-N -1 1 228.198 1.267 20 0 BDADMM O=C(CCCCO)Nc1ccc([O-])c(F)c1F ZINC000633361516 373494827 /nfs/dbraw/zinc/49/48/27/373494827.db2.gz LAPWTKLSFOTTEG-UHFFFAOYSA-N -1 1 245.225 1.772 20 0 BDADMM O=C(NCC1CC1)C(=O)c1ccc([O-])cc1 ZINC000280873399 182137509 /nfs/dbraw/zinc/13/75/09/182137509.db2.gz YBKAIFSPTWAUSS-UHFFFAOYSA-N -1 1 219.240 1.101 20 0 BDADMM O=C(NCCCC(F)(F)F)c1cncc([O-])c1 ZINC000097989207 182158142 /nfs/dbraw/zinc/15/81/42/182158142.db2.gz ZFGLANIDSMAPFT-UHFFFAOYSA-N -1 1 248.204 1.860 20 0 BDADMM O=C([N-]CCCNc1ccccn1)C(F)(F)F ZINC000265613843 182169725 /nfs/dbraw/zinc/16/97/25/182169725.db2.gz OYFODPMRCIAIDH-UHFFFAOYSA-N -1 1 247.220 1.562 20 0 BDADMM O=C(NCCF)c1ccc(Cl)cc1[O-] ZINC000306160795 182181275 /nfs/dbraw/zinc/18/12/75/182181275.db2.gz SQDGNHZDGSAHBP-UHFFFAOYSA-N -1 1 217.627 1.745 20 0 BDADMM O=C(NCCc1cccnc1)c1ncccc1[O-] ZINC000037760794 182208131 /nfs/dbraw/zinc/20/81/31/182208131.db2.gz WCFAPLXEDWRNNE-UHFFFAOYSA-N -1 1 243.266 1.155 20 0 BDADMM O=C(NC[C@@H]1CC=CCC1)c1cncc([O-])c1 ZINC000111739849 182223363 /nfs/dbraw/zinc/22/33/63/182223363.db2.gz FRDJMRCXWUOQHU-SNVBAGLBSA-N -1 1 232.283 1.873 20 0 BDADMM O=C(N[C@H]1CCCOC1)c1ccc([O-])cc1F 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249.318 1.745 20 0 BDADMM CN(Cc1nccn1C)Cc1ncccc1[O-] ZINC000518836609 323184593 /nfs/dbraw/zinc/18/45/93/323184593.db2.gz IMSZWRYJJSVTCV-UHFFFAOYSA-N -1 1 232.287 1.153 20 0 BDADMM O=c1[n-]c(CN2CC[C@@H]2Cc2ccccc2)n[nH]1 ZINC000537049000 324001085 /nfs/dbraw/zinc/00/10/85/324001085.db2.gz ODCZKAKCGWFEHN-LLVKDONJSA-N -1 1 244.298 1.327 20 0 BDADMM O=C(NCC1CC=CC1)C(=O)c1ccc([O-])cc1 ZINC000529707737 324380940 /nfs/dbraw/zinc/38/09/40/324380940.db2.gz BVTPRCPLLJTAJI-UHFFFAOYSA-N -1 1 245.278 1.657 20 0 BDADMM Cc1c[nH]c(NC(=O)c2cncc([O-])c2)n1 ZINC000131125902 325119937 /nfs/dbraw/zinc/11/99/37/325119937.db2.gz DCXVUROKVVIRLB-UHFFFAOYSA-N -1 1 218.216 1.071 20 0 BDADMM O=C(NC1(C2CC2)CC1)c1cncc([O-])c1 ZINC000550656139 325536411 /nfs/dbraw/zinc/53/64/11/325536411.db2.gz LCRCCZHKSXPZAD-UHFFFAOYSA-N -1 1 218.256 1.460 20 0 BDADMM O=C(NCCCC1CC1)C(=O)c1ccc([O-])cc1 ZINC000554514650 325723769 /nfs/dbraw/zinc/72/37/69/325723769.db2.gz HAYYTMAEWREHDW-UHFFFAOYSA-N -1 1 247.294 1.881 20 0 BDADMM 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CCSC1(CN=c2[nH]c(C(=O)[O-])co2)CC1 ZINC000595277541 490156151 /nfs/dbraw/zinc/15/61/51/490156151.db2.gz NOISIIABDPCGGU-UHFFFAOYSA-N -1 1 242.300 1.492 20 0 BDADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1cccnc1 ZINC000812407215 582517080 /nfs/dbraw/zinc/51/70/80/582517080.db2.gz HKDOMLOZSPKHLF-SGRBOOSSSA-N -1 1 240.690 1.985 20 0 BDADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CC1(C)C ZINC000336142999 535950999 /nfs/dbraw/zinc/95/09/99/535950999.db2.gz JMUPZGWLFRQFBW-NSHDSACASA-N -1 1 247.294 1.832 20 0 BDADMM CCN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000335675551 535486832 /nfs/dbraw/zinc/48/68/32/535486832.db2.gz TWAIOTAUWHPTOZ-UHFFFAOYSA-N -1 1 208.261 1.578 20 0 BDADMM Cc1nc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)oc1C ZINC000111254858 588738071 /nfs/dbraw/zinc/73/80/71/588738071.db2.gz QCTYSUSMIFPOCE-OIBJUYFYSA-N -1 1 238.287 1.444 20 0 BDADMM CCn1ncnc1CO[N-]C(=O)CC(C)(C)C ZINC000853706526 588758047 /nfs/dbraw/zinc/75/80/47/588758047.db2.gz LPZLNEZSMQDPAQ-UHFFFAOYSA-N -1 1 240.307 1.282 20 0 BDADMM O=C(C[C@H]1CCCC(=O)N1)[N-]Oc1ccccc1 ZINC000854536634 588791391 /nfs/dbraw/zinc/79/13/91/588791391.db2.gz SRXDVMRMCFNWHI-SNVBAGLBSA-N -1 1 248.282 1.155 20 0 BDADMM COCc1nc(N2C[C@H](C)[C@H](C)C2)cc(=O)[n-]1 ZINC000892737839 582973048 /nfs/dbraw/zinc/97/30/48/582973048.db2.gz MBZQRPIWLOHWMA-DTORHVGOSA-N -1 1 237.303 1.421 20 0 BDADMM O=S(=O)(Oc1cccc(F)c1)c1c[n-]cn1 ZINC000114211605 588872125 /nfs/dbraw/zinc/87/21/25/588872125.db2.gz GAYUYHKLHDIVFI-UHFFFAOYSA-N -1 1 242.231 1.317 20 0 BDADMM Cc1scc(C(=O)N(C)c2nn[n-]n2)c1C ZINC000892954069 583018593 /nfs/dbraw/zinc/01/85/93/583018593.db2.gz BQOJOVWIWUFXAM-UHFFFAOYSA-N -1 1 237.288 1.155 20 0 BDADMM CN(C(=O)[C@H]1CCCC(C)(C)C1)c1nn[n-]n1 ZINC000892954830 583019483 /nfs/dbraw/zinc/01/94/83/583019483.db2.gz RWTHPUHVNSHKRO-QMMMGPOBSA-N -1 1 237.307 1.379 20 0 BDADMM COCc1nc(N[C@H](C)C2CCC2)cc(=O)[n-]1 ZINC000892984429 583025563 /nfs/dbraw/zinc/02/55/63/583025563.db2.gz SZIXUXLFDGOTCV-MRVPVSSYSA-N -1 1 237.303 1.929 20 0 BDADMM COCc1nc(N[C@H](C)c2ccc[nH]2)cc(=O)[n-]1 ZINC000893022329 583031693 /nfs/dbraw/zinc/03/16/93/583031693.db2.gz LECVXUULSHTBAX-MRVPVSSYSA-N -1 1 248.286 1.830 20 0 BDADMM O=C1OCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000895807488 583732576 /nfs/dbraw/zinc/73/25/76/583732576.db2.gz POZXTMAZLIMLPR-QMMMGPOBSA-N -1 1 241.674 1.451 20 0 BDADMM CCO[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000896405320 583799779 /nfs/dbraw/zinc/79/97/79/583799779.db2.gz SAVKHOFNXJDBFE-ZETCQYMHSA-N -1 1 243.694 1.451 20 0 BDADMM CO[C@H](C)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858385433 588950227 /nfs/dbraw/zinc/95/02/27/588950227.db2.gz SJAYVWPNOBSYFG-ZCFIWIBFSA-N -1 1 231.683 1.673 20 0 BDADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@@H]1CCOC1 ZINC000858400789 588951494 /nfs/dbraw/zinc/95/14/94/588951494.db2.gz VFZLHFWLBNVWIM-ZCFIWIBFSA-N -1 1 229.667 1.061 20 0 BDADMM CC[C@H](C)[C@H](O)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858407093 588951825 /nfs/dbraw/zinc/95/18/25/588951825.db2.gz CPYONXDVFXRJDR-NKWVEPMBSA-N -1 1 245.710 1.655 20 0 BDADMM C[C@@]1(CNc2cc(Cl)[n-]c(=O)n2)CCOC1 ZINC000858409917 588952129 /nfs/dbraw/zinc/95/21/29/588952129.db2.gz JTYWAYNXGKLNNY-JTQLQIEISA-N -1 1 243.694 1.674 20 0 BDADMM CC[C@H](COC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858417601 588952748 /nfs/dbraw/zinc/95/27/48/588952748.db2.gz ACSCDWKEVGVQPR-ZCFIWIBFSA-N -1 1 231.683 1.673 20 0 BDADMM CC1(O)CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858445898 588955470 /nfs/dbraw/zinc/95/54/70/588955470.db2.gz QRRGOBCWENOLDZ-UHFFFAOYSA-N -1 1 243.694 1.187 20 0 BDADMM O=c1nc(N[C@@H](CO)CC2CC2)cc(Cl)[n-]1 ZINC000858456233 588956477 /nfs/dbraw/zinc/95/64/77/588956477.db2.gz FCUBXZMUDCAKGT-SSDOTTSWSA-N -1 1 243.694 1.409 20 0 BDADMM C[C@H](C(=O)[N-]Oc1ccc(F)cc1)N(C)C ZINC000898577150 584143197 /nfs/dbraw/zinc/14/31/97/584143197.db2.gz WLOFBCJOGHPNOA-MRVPVSSYSA-N -1 1 226.251 1.186 20 0 BDADMM Cc1cccc(CO[N-]C(=O)C(C)C)n1 ZINC000898937743 584167071 /nfs/dbraw/zinc/16/70/71/584167071.db2.gz JDPIHRVVZMYWLF-UHFFFAOYSA-N -1 1 208.261 1.594 20 0 BDADMM CC1=CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858526513 588962634 /nfs/dbraw/zinc/96/26/34/588962634.db2.gz DFLQNUHWWVLASB-UHFFFAOYSA-N -1 1 225.679 1.992 20 0 BDADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1CCCOC1 ZINC000858541532 588963730 /nfs/dbraw/zinc/96/37/30/588963730.db2.gz BMATZPMMVIIQNJ-ZETCQYMHSA-N -1 1 243.694 1.451 20 0 BDADMM C[C@H](CCCCO)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858558035 588965729 /nfs/dbraw/zinc/96/57/29/588965729.db2.gz GLDLIEFGXSDXKU-SSDOTTSWSA-N -1 1 245.710 1.799 20 0 BDADMM C[C@@H]1C[C@H](O)CN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858564776 588966742 /nfs/dbraw/zinc/96/67/42/588966742.db2.gz BUJDIIAVUQVFHJ-RQJHMYQMSA-N -1 1 243.694 1.043 20 0 BDADMM CC(C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900118235 584274627 /nfs/dbraw/zinc/27/46/27/584274627.db2.gz MNPNMGITONOJIX-UHFFFAOYSA-N -1 1 235.287 1.540 20 0 BDADMM O=c1nc(N[C@@H](CO)C2CCC2)cc(Cl)[n-]1 ZINC000858621665 588971579 /nfs/dbraw/zinc/97/15/79/588971579.db2.gz YBMKHNRPHQCRJC-ZETCQYMHSA-N -1 1 243.694 1.409 20 0 BDADMM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1nnn[n-]1 ZINC000900748378 584348699 /nfs/dbraw/zinc/34/86/99/584348699.db2.gz XBKPWQMFDLZLOO-GMSGAONNSA-N -1 1 223.280 1.355 20 0 BDADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1nnn[n-]1 ZINC000900748380 584348669 /nfs/dbraw/zinc/34/86/69/584348669.db2.gz XBKPWQMFDLZLOO-XCBNKYQSSA-N -1 1 223.280 1.355 20 0 BDADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1nn[n-]n1 ZINC000900748380 584348671 /nfs/dbraw/zinc/34/86/71/584348671.db2.gz XBKPWQMFDLZLOO-XCBNKYQSSA-N -1 1 223.280 1.355 20 0 BDADMM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1nn[n-]n1 ZINC000900748378 584348700 /nfs/dbraw/zinc/34/87/00/584348700.db2.gz XBKPWQMFDLZLOO-GMSGAONNSA-N -1 1 223.280 1.355 20 0 BDADMM Cc1nccc(NCC(=O)[O-])c1Br ZINC000900934789 584367306 /nfs/dbraw/zinc/36/73/06/584367306.db2.gz PZDLMOFQDXSBCW-UHFFFAOYSA-N -1 1 245.076 1.071 20 0 BDADMM C[C@@H](C(=O)[O-])N(C)Cc1cc2cnccc2o1 ZINC000901980215 584511712 /nfs/dbraw/zinc/51/17/12/584511712.db2.gz IZDARGFTZKWZRK-QMMMGPOBSA-N -1 1 234.255 1.733 20 0 BDADMM C[C@H](C(=O)[O-])N(C)Cc1cc2cnccc2o1 ZINC000901980214 584511919 /nfs/dbraw/zinc/51/19/19/584511919.db2.gz IZDARGFTZKWZRK-MRVPVSSYSA-N -1 1 234.255 1.733 20 0 BDADMM Cc1cnc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])o1 ZINC000903936689 584826231 /nfs/dbraw/zinc/82/62/31/584826231.db2.gz RSFVCCRYCBNUBH-SKDRFNHKSA-N -1 1 236.271 1.422 20 0 BDADMM O=C([O-])[C@]12C[C@H]1CCCN2Cc1nccs1 ZINC000903936704 584826490 /nfs/dbraw/zinc/82/64/90/584826490.db2.gz SPWGQBDVRHRFGP-KCJUWKMLSA-N -1 1 238.312 1.582 20 0 BDADMM O=C(Nc1c([O-])cccc1F)c1cc[n+]([O-])cc1 ZINC000735925024 584984272 /nfs/dbraw/zinc/98/42/72/584984272.db2.gz MZSGHGPWRURZGN-UHFFFAOYSA-N -1 1 248.213 1.417 20 0 BDADMM O=C([N-]c1c(O)cccc1F)c1cccc[n+]1[O-] ZINC000735925153 584984354 /nfs/dbraw/zinc/98/43/54/584984354.db2.gz OGFNGTIBIBKKEN-UHFFFAOYSA-N -1 1 248.213 1.417 20 0 BDADMM COCc1nc(OC)cc(=NOCC(C)C)[n-]1 ZINC000788077507 585004365 /nfs/dbraw/zinc/00/43/65/585004365.db2.gz WGYYCOCRRQBGKX-UHFFFAOYSA-N -1 1 241.291 1.631 20 0 BDADMM COCc1nc(=NOCC(C)C)cc(OC)[n-]1 ZINC000788077507 585004366 /nfs/dbraw/zinc/00/43/66/585004366.db2.gz WGYYCOCRRQBGKX-UHFFFAOYSA-N -1 1 241.291 1.631 20 0 BDADMM CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736580690 585006600 /nfs/dbraw/zinc/00/66/00/585006600.db2.gz KPZTXWYDQBAUDB-UHFFFAOYSA-N -1 1 240.270 1.847 20 0 BDADMM CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736580690 585006601 /nfs/dbraw/zinc/00/66/01/585006601.db2.gz KPZTXWYDQBAUDB-UHFFFAOYSA-N -1 1 240.270 1.847 20 0 BDADMM COCC[C@H](N[C@H](C)C(=O)[O-])c1ccc(C)o1 ZINC000820714904 585014355 /nfs/dbraw/zinc/01/43/55/585014355.db2.gz GWEUSTFCUHDVDV-ZJUUUORDSA-N -1 1 241.287 1.728 20 0 BDADMM CCCCOC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000736999321 585022072 /nfs/dbraw/zinc/02/20/72/585022072.db2.gz XBHKSNKOTWISKG-NXEZZACHSA-N -1 1 245.319 1.371 20 0 BDADMM CCN(CCC(=O)[O-])Cn1cc(Cl)cn1 ZINC000737095726 585025739 /nfs/dbraw/zinc/02/57/39/585025739.db2.gz CCQFXWMFFVJJLQ-UHFFFAOYSA-N -1 1 231.683 1.291 20 0 BDADMM C[C@@H](C[N-]C(=O)C(F)(F)F)Cn1cccn1 ZINC000750669772 585218026 /nfs/dbraw/zinc/21/80/26/585218026.db2.gz GUPYZLMPMFSHGW-ZETCQYMHSA-N -1 1 235.209 1.198 20 0 BDADMM Cc1nc(C)c(C(=O)[N-]c2nc(C3CC3)no2)o1 ZINC000751066944 585223922 /nfs/dbraw/zinc/22/39/22/585223922.db2.gz OYSDMUOBOCLKJE-UHFFFAOYSA-N -1 1 248.242 1.804 20 0 BDADMM CC(C)c1noc([N-]C2COC(C)(C)OC2)n1 ZINC000754108307 585278689 /nfs/dbraw/zinc/27/86/89/585278689.db2.gz XSMLOHABWJSWES-UHFFFAOYSA-N -1 1 241.291 1.756 20 0 BDADMM CCC1=C(C(=O)[N-]OCC(C)(C)O)CCCO1 ZINC000839745013 585339822 /nfs/dbraw/zinc/33/98/22/585339822.db2.gz JVQXGBICRCIFNP-UHFFFAOYSA-N -1 1 243.303 1.280 20 0 BDADMM Cc1ccc(CC(=O)[N-]OCC(F)F)s1 ZINC000759334104 585368513 /nfs/dbraw/zinc/36/85/13/585368513.db2.gz IUUPIGJKUODLSS-UHFFFAOYSA-N -1 1 235.255 1.912 20 0 BDADMM CCOC(=O)C[C@H](C)C[N-]C(=O)C(F)(F)F ZINC000761028385 585403757 /nfs/dbraw/zinc/40/37/57/585403757.db2.gz GRGLEHXKKCSMIQ-LURJTMIESA-N -1 1 241.209 1.254 20 0 BDADMM C[C@H]1CCC(=CC(=O)Nc2ccncc2[O-])C1 ZINC000762804684 585437654 /nfs/dbraw/zinc/43/76/54/585437654.db2.gz HUYCTSGXXAOMDT-CBFJXKFUSA-N -1 1 232.283 1.894 20 0 BDADMM C[C@H](CO)COC(=O)c1ccc([O-])cc1F ZINC000766733510 585507017 /nfs/dbraw/zinc/50/70/17/585507017.db2.gz JJFDYJQNDHLCBS-SSDOTTSWSA-N -1 1 228.219 1.317 20 0 BDADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccn1 ZINC000768105340 585531956 /nfs/dbraw/zinc/53/19/56/585531956.db2.gz IXGMBCFRXAJKJT-UHFFFAOYSA-N -1 1 246.241 1.909 20 0 BDADMM CCC[C@@](C)(CO)[N-]C(=O)C(F)(F)C(F)F ZINC000768393070 585537967 /nfs/dbraw/zinc/53/79/67/585537967.db2.gz QQFBEJPQBCJRAL-QMMMGPOBSA-N -1 1 245.216 1.554 20 0 BDADMM O=C(c1ccccc1[O-])N1CCc2ncccc21 ZINC000770672633 585579228 /nfs/dbraw/zinc/57/92/28/585579228.db2.gz NUQPTOKCEGDCPQ-UHFFFAOYSA-N -1 1 240.262 1.990 20 0 BDADMM O=C(N[C@H](CO)C1CC1)c1cc(F)ccc1[O-] ZINC000771027300 585587901 /nfs/dbraw/zinc/58/79/01/585587901.db2.gz UGUAKPIRKAENIB-SNVBAGLBSA-N -1 1 239.246 1.032 20 0 BDADMM O=C(Cc1ccoc1)[N-]OCC(F)(F)F ZINC000772168894 585609356 /nfs/dbraw/zinc/60/93/56/585609356.db2.gz UWNOVEXCWPGQPW-UHFFFAOYSA-N -1 1 223.150 1.432 20 0 BDADMM CO[C@@H]1CCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000775595878 585681163 /nfs/dbraw/zinc/68/11/63/585681163.db2.gz OHGYCJDEHGXQAE-NKWVEPMBSA-N -1 1 225.210 1.480 20 0 BDADMM O=C(OCc1nc2ccccc2o1)c1cn[n-]n1 ZINC000805604250 585729247 /nfs/dbraw/zinc/72/92/47/585729247.db2.gz AWCBQUXLULILPX-UHFFFAOYSA-N -1 1 244.210 1.303 20 0 BDADMM O=C(OCCCCc1ccccc1)c1cn[n-]n1 ZINC000805607307 585734498 /nfs/dbraw/zinc/73/44/98/585734498.db2.gz JQMZCXIHPNLQLI-UHFFFAOYSA-N -1 1 245.282 1.984 20 0 BDADMM O=C(CCc1ccc(=O)[nH]c1)[N-]OCC(F)F ZINC000787521137 585910763 /nfs/dbraw/zinc/91/07/63/585910763.db2.gz PIUAXWHHLNTBJV-UHFFFAOYSA-N -1 1 246.213 1.033 20 0 BDADMM Cc1n[nH]nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000790008209 585956063 /nfs/dbraw/zinc/95/60/63/585956063.db2.gz XSCDNVCOTGAKKR-UHFFFAOYSA-N -1 1 236.206 1.210 20 0 BDADMM Cn1[n-]cc2c(=NC(=O)c3ccoc3)ccnc1-2 ZINC000791166710 585975060 /nfs/dbraw/zinc/97/50/60/585975060.db2.gz ZMCQOLLZFQVDSP-UHFFFAOYSA-N -1 1 242.238 1.187 20 0 BDADMM CN(C(=O)c1ccc([O-])cc1F)c1nccn1C ZINC000791248753 585975305 /nfs/dbraw/zinc/97/53/05/585975305.db2.gz SEJMITLAZAKUEU-UHFFFAOYSA-N -1 1 249.245 1.541 20 0 BDADMM C[C@H](O)CCCOC(=O)c1ccc([O-])cc1F ZINC000795576856 586086780 /nfs/dbraw/zinc/08/67/80/586086780.db2.gz CSMCEENMNILGMW-QMMMGPOBSA-N -1 1 242.246 1.849 20 0 BDADMM COC(=O)c1ccc(C(=O)O[C@@H]2C=CCC2)[n-]1 ZINC000797048229 586119310 /nfs/dbraw/zinc/11/93/10/586119310.db2.gz IVJXAOGZADSTKA-MRVPVSSYSA-N -1 1 235.239 1.677 20 0 BDADMM CC[C@@H]([N-]C(=O)C(C)(F)F)[C@@H](O)C(F)(F)F ZINC000815892387 586696367 /nfs/dbraw/zinc/69/63/67/586696367.db2.gz OOLZKAORQJAKAL-RFZPGFLSSA-N -1 1 249.179 1.460 20 0 BDADMM Cc1cncc(CCC(=O)[N-]OCC(F)F)c1 ZINC000816105030 586708807 /nfs/dbraw/zinc/70/88/07/586708807.db2.gz OOEPTLDEZCPZMH-UHFFFAOYSA-N -1 1 244.241 1.636 20 0 BDADMM CCOCCO[N-]C(=O)[C@@H]1CCCC[C@H]1OC ZINC000816172606 586711582 /nfs/dbraw/zinc/71/15/82/586711582.db2.gz VFUJSYMZGGXKHM-GHMZBOCLSA-N -1 1 245.319 1.276 20 0 BDADMM CC(C)[C@H]([N-]C(=O)C(F)F)[C@H](O)C(F)(F)F ZINC000816524460 586738221 /nfs/dbraw/zinc/73/82/21/586738221.db2.gz GGYUBQWGCHLCKV-WHFBIAKZSA-N -1 1 249.179 1.316 20 0 BDADMM CO[C@@H]1CCCC[C@H]1C(=O)[N-]OCCSC ZINC000816547345 586740067 /nfs/dbraw/zinc/74/00/67/586740067.db2.gz SWEQXEMKXWCKHN-NXEZZACHSA-N -1 1 247.360 1.602 20 0 BDADMM C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818052448 586867080 /nfs/dbraw/zinc/86/70/80/586867080.db2.gz ISYJHYQUZXCTQM-SECBINFHSA-N -1 1 245.282 1.639 20 0 BDADMM CC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820594576 587057809 /nfs/dbraw/zinc/05/78/09/587057809.db2.gz AMDVJTSDCZBOLP-UHFFFAOYSA-N -1 1 244.302 1.498 20 0 BDADMM CC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820594576 587057811 /nfs/dbraw/zinc/05/78/11/587057811.db2.gz AMDVJTSDCZBOLP-UHFFFAOYSA-N -1 1 244.302 1.498 20 0 BDADMM CC[C@H](C)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000820869523 587078810 /nfs/dbraw/zinc/07/88/10/587078810.db2.gz HJPJEXOPLJUNMP-QMMMGPOBSA-N -1 1 233.275 1.075 20 0 BDADMM CO[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000822382958 587165097 /nfs/dbraw/zinc/16/50/97/587165097.db2.gz RLMVGNBMYLEKNE-UHFFFAOYSA-N -1 1 249.310 1.704 20 0 BDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCOC1 ZINC000822972642 587196097 /nfs/dbraw/zinc/19/60/97/587196097.db2.gz WOTAMHIRCUFSCE-LURJTMIESA-N -1 1 243.209 1.645 20 0 BDADMM CC1(C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000824807165 587288126 /nfs/dbraw/zinc/28/81/26/587288126.db2.gz FWELZXAAROEBPQ-UHFFFAOYSA-N -1 1 233.275 1.444 20 0 BDADMM CC1(C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000824807165 587288128 /nfs/dbraw/zinc/28/81/28/587288128.db2.gz FWELZXAAROEBPQ-UHFFFAOYSA-N -1 1 233.275 1.444 20 0 BDADMM CC1CC(Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000824892820 587292017 /nfs/dbraw/zinc/29/20/17/587292017.db2.gz NBMPSSWYSTWZHE-UHFFFAOYSA-N -1 1 230.275 1.472 20 0 BDADMM CC1CC(Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000824892820 587292018 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224.195 1.027 20 0 BDADMM Cc1nonc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000070262341 957668563 /nfs/dbraw/zinc/66/85/63/957668563.db2.gz ICERNMHUCUSSBH-NSHDSACASA-N -1 1 239.275 1.065 20 0 BDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nccs1 ZINC000087393314 958008205 /nfs/dbraw/zinc/00/82/05/958008205.db2.gz IVLDXAWOZKTUBR-SFYZADRCSA-N -1 1 226.301 1.438 20 0 BDADMM Nc1nonc1[N-]c1ccc(O)cc1Cl ZINC001216426071 958898506 /nfs/dbraw/zinc/89/85/06/958898506.db2.gz QVOZHYLWYYSKBT-UHFFFAOYSA-N -1 1 226.623 1.754 20 0 BDADMM CC[C@@H](C(=O)[O-])C(=O)NOCc1ccccc1 ZINC000148792088 959013934 /nfs/dbraw/zinc/01/39/34/959013934.db2.gz LXDPKWBVMBIJAO-SNVBAGLBSA-N -1 1 237.255 1.345 20 0 BDADMM Cc1nccc(CN2CCC(CC(=O)[O-])CC2)n1 ZINC000156424468 959053340 /nfs/dbraw/zinc/05/33/40/959053340.db2.gz GUWZRDNLIWIDGI-UHFFFAOYSA-N -1 1 249.314 1.472 20 0 BDADMM CC(C)=CC(=O)NCCCC[P@](=O)([O-])O ZINC001143928696 972398988 /nfs/dbraw/zinc/39/89/88/972398988.db2.gz MQWPNXNMBIGIFU-UHFFFAOYSA-N -1 1 235.220 1.027 20 0 BDADMM 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CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590472556 982949330 /nfs/dbraw/zinc/94/93/30/982949330.db2.gz GGHJGOVLXJXZCE-VIFPVBQESA-N -1 1 244.302 1.862 20 0 BDADMM CC/C=C\CCn1ccnc1-c1nnn[n-]1 ZINC001590534846 982950382 /nfs/dbraw/zinc/95/03/82/982950382.db2.gz UYZQHVWHBOAJPA-ARJAWSKDSA-N -1 1 218.264 1.420 20 0 BDADMM CC/C=C\CCn1ccnc1-c1nn[n-]n1 ZINC001590534846 982950396 /nfs/dbraw/zinc/95/03/96/982950396.db2.gz UYZQHVWHBOAJPA-ARJAWSKDSA-N -1 1 218.264 1.420 20 0 BDADMM CC/C=C\CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001590533327 982954709 /nfs/dbraw/zinc/95/47/09/982954709.db2.gz MLRSMTOSVDVJOG-ARJAWSKDSA-N -1 1 246.274 1.392 20 0 BDADMM O=C([O-])CCN(Cc1cncs1)C1CC1 ZINC000161216376 983044706 /nfs/dbraw/zinc/04/47/06/983044706.db2.gz DHXNGQWGZOLNEC-UHFFFAOYSA-N -1 1 226.301 1.582 20 0 BDADMM CN(C)c1ccnc(-c2cncc(C(=O)[O-])c2)c1 ZINC001241800059 983050746 /nfs/dbraw/zinc/05/07/46/983050746.db2.gz KGGPYKCWAMMMAR-UHFFFAOYSA-N -1 1 243.266 1.908 20 0 BDADMM CO[C@H](C)CNc1ccc(C)c(-c2nnn[n-]2)n1 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C[C@H]1CC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000129291470 177204648 /nfs/dbraw/zinc/20/46/48/177204648.db2.gz LZFDBYOZGLTTER-WPRPVWTQSA-N -1 1 220.272 1.706 20 0 BDADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000226268675 177345215 /nfs/dbraw/zinc/34/52/15/177345215.db2.gz CAYFGKWWXMRAAT-JGVFFNPUSA-N -1 1 223.247 1.917 20 0 BDADMM C[C@H]1C[C@H](O)CN1C(=O)c1ccc([O-])cc1F ZINC000335900679 177373804 /nfs/dbraw/zinc/37/38/04/177373804.db2.gz MFTHTMOITSNVHD-CBAPKCEASA-N -1 1 239.246 1.127 20 0 BDADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cnn[nH]1 ZINC000111152480 177391297 /nfs/dbraw/zinc/39/12/97/177391297.db2.gz CDBUJDXUFHLRBO-UFBFGSQYSA-N -1 1 242.282 1.468 20 0 BDADMM CC(C)CC1(C(=O)NCc2nn[n-]n2)CCC1 ZINC000674923233 487655454 /nfs/dbraw/zinc/65/54/54/487655454.db2.gz BSZLTJULBYUYFC-UHFFFAOYSA-N -1 1 237.307 1.032 20 0 BDADMM CC(C)[C@H](CNc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000087506963 487666142 /nfs/dbraw/zinc/66/61/42/487666142.db2.gz CNMYKJCMVIIJLQ-ZETCQYMHSA-N -1 1 249.274 1.122 20 0 BDADMM CC(C)c1cccc(C(=O)Nc2nnn[n-]2)c1 ZINC000668867097 487680479 /nfs/dbraw/zinc/68/04/79/487680479.db2.gz LKWIOPIEFSSIKA-UHFFFAOYSA-N -1 1 231.259 1.575 20 0 BDADMM CC(C)c1cccc(C(=O)Nc2nn[n-]n2)c1 ZINC000668867097 487680482 /nfs/dbraw/zinc/68/04/82/487680482.db2.gz LKWIOPIEFSSIKA-UHFFFAOYSA-N -1 1 231.259 1.575 20 0 BDADMM O=C(Nc1nnn[n-]1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668867890 487681201 /nfs/dbraw/zinc/68/12/01/487681201.db2.gz VRYIRFWIFUDTIX-MGCOHNPYSA-N -1 1 249.318 1.745 20 0 BDADMM O=C(Nc1nn[n-]n1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668867890 487681207 /nfs/dbraw/zinc/68/12/07/487681207.db2.gz VRYIRFWIFUDTIX-MGCOHNPYSA-N -1 1 249.318 1.745 20 0 BDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](O)C1 ZINC000681017709 487696115 /nfs/dbraw/zinc/69/61/15/487696115.db2.gz BCSWIKKFHHRYBI-VIFPVBQESA-N -1 1 239.246 1.128 20 0 BDADMM CCCN(CC(=O)[O-])Cc1ccc(C)cn1 ZINC000088136540 487706706 /nfs/dbraw/zinc/70/67/06/487706706.db2.gz QGQSQCZSKAMOHS-UHFFFAOYSA-N -1 1 222.288 1.687 20 0 BDADMM C[C@]1(NC(=O)c2ccc([O-])c(F)c2)CCOC1 ZINC000681059109 487708836 /nfs/dbraw/zinc/70/88/36/487708836.db2.gz JAKXUKAKTCEFFN-LBPRGKRZSA-N -1 1 239.246 1.440 20 0 BDADMM O=C(NCCCF)c1ccc([O-])c(F)c1 ZINC000681056747 487709174 /nfs/dbraw/zinc/70/91/74/487709174.db2.gz DKMZVPXIIFVSCF-UHFFFAOYSA-N -1 1 215.199 1.621 20 0 BDADMM C[C@@](CO)([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000759539523 585375128 /nfs/dbraw/zinc/37/51/28/585375128.db2.gz VWGHYIKKGNUKPH-QMMMGPOBSA-N -1 1 243.200 1.164 20 0 BDADMM CCc1nc(CN(C)C[C@@H](C)C(=O)[O-])cs1 ZINC000042704593 487778544 /nfs/dbraw/zinc/77/85/44/487778544.db2.gz JPXAHQNGXHPZKB-MRVPVSSYSA-N -1 1 242.344 1.858 20 0 BDADMM Cn1[n-]c2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000199047046 487811325 /nfs/dbraw/zinc/81/13/25/487811325.db2.gz OHADAYGVKSISDD-GFCCVEGCSA-N -1 1 243.310 1.337 20 0 BDADMM CC[C@H](C(=O)[N-]OCCC(F)(F)F)[C@H](C)O ZINC000842254522 588009210 /nfs/dbraw/zinc/00/92/10/588009210.db2.gz WBZJAFLHLSRRHN-BQBZGAKWSA-N -1 1 243.225 1.394 20 0 BDADMM Cc1ccc(CN2CCC[C@]2(C)C(=O)[O-])nc1 ZINC000156666829 487845037 /nfs/dbraw/zinc/84/50/37/487845037.db2.gz OGMPQWDMHZHGIG-CYBMUJFWSA-N -1 1 234.299 1.829 20 0 BDADMM C[C@H]1CCCC[C@@H]1COCc1nn[n-]n1 ZINC001331984620 974905782 /nfs/dbraw/zinc/90/57/82/974905782.db2.gz QWHKYDWABNTBCG-DTWKUNHWSA-N -1 1 210.281 1.543 20 0 BDADMM Cc1cnc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000569766383 323040076 /nfs/dbraw/zinc/04/00/76/323040076.db2.gz JNBJUHOZPKODOV-JZYVYDRUSA-N -1 1 232.283 1.624 20 0 BDADMM CCO[C@@H]1C[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000570588199 323064204 /nfs/dbraw/zinc/06/42/04/323064204.db2.gz MGHDEYCQWMHNKV-MWLCHTKSSA-N -1 1 239.246 1.439 20 0 BDADMM C[C@@H]1CC[C@@H](CC(=O)NC2(c3nn[n-]n3)CC2)C1 ZINC000571016949 323103483 /nfs/dbraw/zinc/10/34/83/323103483.db2.gz RSVWZQXODKQNOW-RKDXNWHRSA-N -1 1 249.318 1.131 20 0 BDADMM CC1(C)CCC[C@@H](CC(=O)Nc2nnn[n-]2)C1 ZINC000152353384 323177720 /nfs/dbraw/zinc/17/77/20/323177720.db2.gz QJKGEWLHXZPJRB-QMMMGPOBSA-N -1 1 237.307 1.745 20 0 BDADMM CC1(C)CCC[C@@H](CC(=O)Nc2nn[n-]n2)C1 ZINC000152353384 323177721 /nfs/dbraw/zinc/17/77/21/323177721.db2.gz QJKGEWLHXZPJRB-QMMMGPOBSA-N -1 1 237.307 1.745 20 0 BDADMM O=C(N[C@H]1CC12CC2)c1ncccc1[O-] ZINC000572236443 323576905 /nfs/dbraw/zinc/57/69/05/323576905.db2.gz HENKCQHPBUZPIU-QMMMGPOBSA-N -1 1 204.229 1.070 20 0 BDADMM COC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530007480 324455966 /nfs/dbraw/zinc/45/59/66/324455966.db2.gz WCEZIZZKKYQLHL-UHFFFAOYSA-N -1 1 227.235 1.895 20 0 BDADMM C[C@@H]1C[C@H](C)N1Cc1cc(=O)n2[n-]ccc2n1 ZINC000547769364 325394773 /nfs/dbraw/zinc/39/47/73/325394773.db2.gz KEAJRGDSPMRYRH-DTORHVGOSA-N -1 1 232.287 1.005 20 0 BDADMM CCOCC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000568533376 326364519 /nfs/dbraw/zinc/36/45/19/326364519.db2.gz RZPAEVOALPBLEQ-UHFFFAOYSA-N -1 1 242.300 1.188 20 0 BDADMM Cc1cnc(CNC[C@H](CC2CC2)C(=O)[O-])o1 ZINC001332016740 974921018 /nfs/dbraw/zinc/92/10/18/974921018.db2.gz BJMBFWSHUIYBEN-JTQLQIEISA-N -1 1 238.287 1.574 20 0 BDADMM CN(CCCCO)C(=O)c1ccc([O-])c(F)c1 ZINC000682686928 488016513 /nfs/dbraw/zinc/01/65/13/488016513.db2.gz GBANPXURTMOBDS-UHFFFAOYSA-N -1 1 241.262 1.376 20 0 BDADMM Cc1ncsc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000084149596 488026398 /nfs/dbraw/zinc/02/63/98/488026398.db2.gz GFYKLTFMJRRDOL-LLVKDONJSA-N -1 1 240.328 1.891 20 0 BDADMM CSc1n[nH]c(NC(=O)[C@H]2CCC2(C)C)n1 ZINC000667618998 488060570 /nfs/dbraw/zinc/06/05/70/488060570.db2.gz PJFDUHWRKWWAIC-ZCFIWIBFSA-N -1 1 240.332 1.901 20 0 BDADMM CC1N=NC(C(=O)Nc2cccc(CO)c2)=C1[O-] ZINC000677822618 488138794 /nfs/dbraw/zinc/13/87/94/488138794.db2.gz XZUQFFZFNNZGFF-UHFFFAOYSA-N -1 1 247.254 1.168 20 0 BDADMM COc1nnc([N-]C(=O)c2ncoc2C)s1 ZINC000683904881 488242350 /nfs/dbraw/zinc/24/23/50/488242350.db2.gz UPILDYSRCROPNA-UHFFFAOYSA-N -1 1 240.244 1.095 20 0 BDADMM CN1CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000678374503 488247826 /nfs/dbraw/zinc/24/78/26/488247826.db2.gz NTYSDFXVXJXRAS-VIFPVBQESA-N -1 1 238.262 1.564 20 0 BDADMM Cc1nsc([N-]c2cnn(C)c2C)n1 ZINC000678405171 488251847 /nfs/dbraw/zinc/25/18/47/488251847.db2.gz GRFOZNHLDIKHNE-UHFFFAOYSA-N -1 1 209.278 1.632 20 0 BDADMM C[C@H](O)CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000684065239 488259151 /nfs/dbraw/zinc/25/91/51/488259151.db2.gz UXPXQMQTVWSIFX-QMMMGPOBSA-N -1 1 241.262 1.422 20 0 BDADMM O=C(NC1(C(F)(F)F)CC1)c1cncc([O-])c1 ZINC000229721042 491119669 /nfs/dbraw/zinc/11/96/69/491119669.db2.gz KZHJIEORFZGBDW-UHFFFAOYSA-N -1 1 246.188 1.612 20 0 BDADMM O=C([N-]c1nncs1)c1nccs1 ZINC000307618188 491133847 /nfs/dbraw/zinc/13/38/47/491133847.db2.gz YFRMXELLJHLTJJ-UHFFFAOYSA-N -1 1 212.259 1.247 20 0 BDADMM CCn1nccc1NC(=O)c1ccccc1[O-] ZINC000335399369 535886016 /nfs/dbraw/zinc/88/60/16/535886016.db2.gz GDTSYJKBILCHLP-UHFFFAOYSA-N -1 1 231.255 1.861 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C1=CCCCO1 ZINC000854635188 588798322 /nfs/dbraw/zinc/79/83/22/588798322.db2.gz POZXLQHMPWJYAO-UHFFFAOYSA-N -1 1 223.232 1.057 20 0 BDADMM CCc1nc(CNC(=O)C(F)(F)CC)n[nH]1 ZINC000854678798 588800989 /nfs/dbraw/zinc/80/09/89/588800989.db2.gz ZPJMPNXKZPGGNH-UHFFFAOYSA-N -1 1 232.234 1.029 20 0 BDADMM COCc1nc(N(C)Cc2ccco2)cc(=O)[n-]1 ZINC000891494781 582693223 /nfs/dbraw/zinc/69/32/23/582693223.db2.gz GOCRMNKQJLMRLQ-UHFFFAOYSA-N -1 1 249.270 1.558 20 0 BDADMM O=C([N-]N1CCc2ccccc2C1)C(F)F ZINC000855707808 588845669 /nfs/dbraw/zinc/84/56/69/588845669.db2.gz MWYNJYFSCLBLDN-UHFFFAOYSA-N -1 1 226.226 1.341 20 0 BDADMM O=C(NCc1cocn1)c1c([O-])cccc1F ZINC000397981327 583115112 /nfs/dbraw/zinc/11/51/12/583115112.db2.gz RQXAIMQKZYUSGM-UHFFFAOYSA-N -1 1 236.202 1.449 20 0 BDADMM COCc1nccc(=NOC[C@@H]2CCOC2)[n-]1 ZINC000893426178 583141180 /nfs/dbraw/zinc/14/11/80/583141180.db2.gz CNHPALPAQQEIPF-SECBINFHSA-N -1 1 239.275 1.003 20 0 BDADMM COCc1nc(N[C@@H]2C=CCC2)cc(=O)[n-]1 ZINC000894523342 583477702 /nfs/dbraw/zinc/47/77/02/583477702.db2.gz WKEAOBWFQHCDKT-MRVPVSSYSA-N -1 1 221.260 1.459 20 0 BDADMM C=C/C=C\CCNc1cc(=O)[n-]c(COC)n1 ZINC000895131775 583600939 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DYEMLPOSYQSOGM-UHFFFAOYSA-N -1 1 225.219 1.649 20 0 BDADMM CCc1noc(C)c1[N-]C(=O)c1cnsn1 ZINC000133045548 591760177 /nfs/dbraw/zinc/76/01/77/591760177.db2.gz YYHIPDWSYNZMTB-UHFFFAOYSA-N -1 1 238.272 1.649 20 0 BDADMM O=C([N-]OCC(F)(F)F)[C@H]1CCCOC1 ZINC000135224561 591998140 /nfs/dbraw/zinc/99/81/40/591998140.db2.gz ZGIOUIYQEPFDOD-LURJTMIESA-N -1 1 227.182 1.023 20 0 BDADMM CCC(C)(C)[N-]S(=O)(=O)c1ccns1 ZINC000884875851 592026632 /nfs/dbraw/zinc/02/66/32/592026632.db2.gz NOEIMAQEGHBRFM-UHFFFAOYSA-N -1 1 234.346 1.610 20 0 BDADMM CCC1([N-]S(=O)(=O)c2ccns2)CCC1 ZINC000885040827 592037477 /nfs/dbraw/zinc/03/74/77/592037477.db2.gz NQLMKHOOQUUWEL-UHFFFAOYSA-N -1 1 246.357 1.754 20 0 BDADMM Cc1ccc([C@H](C)NCCNC(=O)[O-])o1 ZINC000740115866 602046943 /nfs/dbraw/zinc/04/69/43/602046943.db2.gz YKUPCILSABCVAX-QMMMGPOBSA-N -1 1 212.249 1.506 20 0 BDADMM COc1cccc([C@H](CNC(=O)[O-])N(C)C)c1 ZINC000739945275 602664385 /nfs/dbraw/zinc/66/43/85/602664385.db2.gz JMFSEJYATMBAAU-NSHDSACASA-N -1 1 238.287 1.566 20 0 BDADMM C[C@H](N[C@H]1COc2cc(F)cc(F)c21)C(=O)[O-] ZINC000820142028 597763790 /nfs/dbraw/zinc/76/37/90/597763790.db2.gz MSMFQCZRRBMRDZ-XNCJUZBTSA-N -1 1 243.209 1.461 20 0 BDADMM CC[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000095162347 598347710 /nfs/dbraw/zinc/34/77/10/598347710.db2.gz DLQGAJXLZRXHMP-SFYZADRCSA-N -1 1 247.306 1.503 20 0 BDADMM CC[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000095162347 598347713 /nfs/dbraw/zinc/34/77/13/598347713.db2.gz DLQGAJXLZRXHMP-SFYZADRCSA-N -1 1 247.306 1.503 20 0 BDADMM CCC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095276663 599401079 /nfs/dbraw/zinc/40/10/79/599401079.db2.gz AFWOWQSYSJQCBC-MRVPVSSYSA-N -1 1 232.291 1.862 20 0 BDADMM CCC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095276663 599401082 /nfs/dbraw/zinc/40/10/82/599401082.db2.gz AFWOWQSYSJQCBC-MRVPVSSYSA-N -1 1 232.291 1.862 20 0 BDADMM CN(CC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294071 599414041 /nfs/dbraw/zinc/41/40/41/599414041.db2.gz PTKCSGONJUERBK-UHFFFAOYSA-N -1 1 230.275 1.108 20 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BDADMM C1=C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001588386804 982160884 /nfs/dbraw/zinc/16/08/84/982160884.db2.gz BSLHXMRQNIEZGV-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM C1=C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001588386804 982160898 /nfs/dbraw/zinc/16/08/98/982160898.db2.gz BSLHXMRQNIEZGV-MRVPVSSYSA-N -1 1 243.274 1.177 20 0 BDADMM CCN(CC)C(=O)c1cc([O-])cnc1Cl ZINC001195297818 982182625 /nfs/dbraw/zinc/18/26/25/982182625.db2.gz HUODICGXOXAOHH-UHFFFAOYSA-N -1 1 228.679 1.923 20 0 BDADMM Cc1ccc([O-])c(C(=O)Nc2ncccc2N)n1 ZINC001195318778 982199617 /nfs/dbraw/zinc/19/96/17/982199617.db2.gz NOTMLFKQRJTDSO-UHFFFAOYSA-N -1 1 244.254 1.325 20 0 BDADMM CCOC(=O)NC(=S)[N-]c1ccc(O)cc1 ZINC001195449489 982258576 /nfs/dbraw/zinc/25/85/76/982258576.db2.gz XUJGLZXNHQDXAR-UHFFFAOYSA-N -1 1 240.284 1.835 20 0 BDADMM C=C/C=C\CCn1ccc(-c2nn[n-]n2)cc1=O ZINC001588531191 982294915 /nfs/dbraw/zinc/29/49/15/982294915.db2.gz ZSZATFIRSYVYLL-ARJAWSKDSA-N -1 1 243.270 1.161 20 0 BDADMM [O-]c1ccc(F)c(-c2cn3ncnc3cn2)c1F ZINC001241292398 982434977 /nfs/dbraw/zinc/43/49/77/982434977.db2.gz CNZMBFYEMRNVLW-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM Cc1n[nH]c(CNC(=O)c2ncccc2[O-])c1C ZINC000716807856 982484393 /nfs/dbraw/zinc/48/43/93/982484393.db2.gz LZZFIBKNXKRAFK-UHFFFAOYSA-N -1 1 246.270 1.057 20 0 BDADMM Cc1[nH]nc(CNC(=O)c2ncccc2[O-])c1C ZINC000716807856 982484399 /nfs/dbraw/zinc/48/43/99/982484399.db2.gz LZZFIBKNXKRAFK-UHFFFAOYSA-N -1 1 246.270 1.057 20 0 BDADMM CCOc1cncc(C(=O)[N-]c2cnoc2)n1 ZINC001197975747 982643435 /nfs/dbraw/zinc/64/34/35/982643435.db2.gz JWCSXEXZBSOZBN-UHFFFAOYSA-N -1 1 234.215 1.116 20 0 BDADMM O=C1Cc2cc(-c3cncs3)ccc2C(=O)[N-]1 ZINC001241499959 982661015 /nfs/dbraw/zinc/66/10/15/982661015.db2.gz IKFIKHDXYOXVLM-UHFFFAOYSA-N -1 1 244.275 1.623 20 0 BDADMM Nc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001241543811 982745286 /nfs/dbraw/zinc/74/52/86/982745286.db2.gz TZAUBSCFVNIAMI-UHFFFAOYSA-N -1 1 249.206 1.739 20 0 BDADMM Nc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001241543811 982745294 /nfs/dbraw/zinc/74/52/94/982745294.db2.gz TZAUBSCFVNIAMI-UHFFFAOYSA-N -1 1 249.206 1.739 20 0 BDADMM CC[C@H](C)N(CC(=O)OC)C/C(C)=C/C(=O)[O-] ZINC001594982732 982782304 /nfs/dbraw/zinc/78/23/04/982782304.db2.gz SNICWQDFSXVANN-ZKXNXJMVSA-N -1 1 243.303 1.291 20 0 BDADMM CC(C)[C@@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001589435334 982790391 /nfs/dbraw/zinc/79/03/91/982790391.db2.gz DHHOSTZZPPUASY-VIFPVBQESA-N -1 1 246.318 1.966 20 0 BDADMM CC(C)[C@@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001589435334 982790399 /nfs/dbraw/zinc/79/03/99/982790399.db2.gz DHHOSTZZPPUASY-VIFPVBQESA-N -1 1 246.318 1.966 20 0 BDADMM CCC/C=C\c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001589639037 982855438 /nfs/dbraw/zinc/85/54/38/982855438.db2.gz LANFXMXVHSRHSV-MJSGSUOKSA-N -1 1 225.248 1.357 20 0 BDADMM CC(C)SCCn1ccnc1-c1nnn[n-]1 ZINC001589761234 982881533 /nfs/dbraw/zinc/88/15/33/982881533.db2.gz AOZZSOKGZVLIID-UHFFFAOYSA-N -1 1 238.320 1.205 20 0 BDADMM CC(C)SCCn1ccnc1-c1nn[n-]n1 ZINC001589761234 982881546 /nfs/dbraw/zinc/88/15/46/982881546.db2.gz AOZZSOKGZVLIID-UHFFFAOYSA-N -1 1 238.320 1.205 20 0 BDADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589877979 982885757 /nfs/dbraw/zinc/88/57/57/982885757.db2.gz FMYVKALTWNICIK-QMMMGPOBSA-N -1 1 244.302 1.142 20 0 BDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589877979 982885759 /nfs/dbraw/zinc/88/57/59/982885759.db2.gz FMYVKALTWNICIK-QMMMGPOBSA-N -1 1 244.302 1.142 20 0 BDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589984646 982892281 /nfs/dbraw/zinc/89/22/81/982892281.db2.gz SLOQZKZONQXCFG-MRVPVSSYSA-N -1 1 244.302 1.862 20 0 BDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589984646 982892287 /nfs/dbraw/zinc/89/22/87/982892287.db2.gz SLOQZKZONQXCFG-MRVPVSSYSA-N -1 1 244.302 1.862 20 0 BDADMM CC1(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590126872 982893151 /nfs/dbraw/zinc/89/31/51/982893151.db2.gz IHABTTQHWTYEBU-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM CC1(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590126872 982893158 /nfs/dbraw/zinc/89/31/58/982893158.db2.gz IHABTTQHWTYEBU-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1cnc(-c2nnn[n-]2)cn1 ZINC001590229505 982899667 /nfs/dbraw/zinc/89/96/67/982899667.db2.gz NHJYCMLCORCBBL-YUMQZZPRSA-N -1 1 245.290 1.034 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1cnc(-c2nn[n-]n2)cn1 ZINC001590229505 982899670 /nfs/dbraw/zinc/89/96/70/982899670.db2.gz NHJYCMLCORCBBL-YUMQZZPRSA-N -1 1 245.290 1.034 20 0 BDADMM C[C@@H]1C[C@@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001590220389 982902547 /nfs/dbraw/zinc/90/25/47/982902547.db2.gz NRCDREMXOQWCAD-HTQZYQBOSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@@H]1C[C@@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001590220389 982902561 /nfs/dbraw/zinc/90/25/61/982902561.db2.gz NRCDREMXOQWCAD-HTQZYQBOSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1ccnc(-c2nnn[n-]2)c1 ZINC001590231707 982912305 /nfs/dbraw/zinc/91/23/05/982912305.db2.gz ZHCKLCIELJVPOE-IUCAKERBSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1ccnc(-c2nn[n-]n2)c1 ZINC001590231707 982912319 /nfs/dbraw/zinc/91/23/19/982912319.db2.gz ZHCKLCIELJVPOE-IUCAKERBSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590240385 982912341 /nfs/dbraw/zinc/91/23/41/982912341.db2.gz SAERNAQCLAVBHA-RKDXNWHRSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590240385 982912350 /nfs/dbraw/zinc/91/23/50/982912350.db2.gz SAERNAQCLAVBHA-RKDXNWHRSA-N -1 1 244.302 1.284 20 0 BDADMM CCC(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC001590365886 982936099 /nfs/dbraw/zinc/93/60/99/982936099.db2.gz VXAWKBMDLOBJPS-UHFFFAOYSA-N -1 1 236.206 1.321 20 0 BDADMM CCC(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001590365886 982936125 /nfs/dbraw/zinc/93/61/25/982936125.db2.gz VXAWKBMDLOBJPS-UHFFFAOYSA-N -1 1 236.206 1.321 20 0 BDADMM CC[C@@H](C)CON=c1cc(-c2nn[n-]n2)nc[nH]1 ZINC001590411269 982937292 /nfs/dbraw/zinc/93/72/92/982937292.db2.gz YMBVKQGHZOZHKP-SSDOTTSWSA-N -1 1 249.278 1.046 20 0 BDADMM CCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001590497569 982951910 /nfs/dbraw/zinc/95/19/10/982951910.db2.gz OHLWUGCIPLAHBM-UHFFFAOYSA-N -1 1 245.290 1.320 20 0 BDADMM CCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001590497569 982951928 /nfs/dbraw/zinc/95/19/28/982951928.db2.gz OHLWUGCIPLAHBM-UHFFFAOYSA-N -1 1 245.290 1.320 20 0 BDADMM CC/C=C\CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590530569 982954876 /nfs/dbraw/zinc/95/48/76/982954876.db2.gz DPJIBSPRWXYVRG-ARJAWSKDSA-N -1 1 231.263 1.035 20 0 BDADMM CC/C=C\CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590530569 982954891 /nfs/dbraw/zinc/95/48/91/982954891.db2.gz DPJIBSPRWXYVRG-ARJAWSKDSA-N -1 1 231.263 1.035 20 0 BDADMM CC[C@@H]1C[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001590860352 983001743 /nfs/dbraw/zinc/00/17/43/983001743.db2.gz OTPGIMUTEWGKFP-SFYZADRCSA-N -1 1 245.290 1.115 20 0 BDADMM CC(C)c1oncc1C(=O)[N-]c1nonc1N ZINC001199743296 983005019 /nfs/dbraw/zinc/00/50/19/983005019.db2.gz GGYQNYBIQJTFPN-UHFFFAOYSA-N -1 1 237.219 1.016 20 0 BDADMM Cc1ccc(N2CC[C@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176977 983114972 /nfs/dbraw/zinc/11/49/72/983114972.db2.gz GYLOLRQETLQQRY-QMMMGPOBSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1ccc(N2CC[C@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176977 983114980 /nfs/dbraw/zinc/11/49/80/983114980.db2.gz GYLOLRQETLQQRY-QMMMGPOBSA-N -1 1 248.265 1.118 20 0 BDADMM CC(C)n1ncnc1CNC(C)(C)CC(=O)[O-] ZINC001592170042 983115630 /nfs/dbraw/zinc/11/56/30/983115630.db2.gz UMXSOGJHDYJBLS-UHFFFAOYSA-N -1 1 240.307 1.202 20 0 BDADMM Cc1ccc(-c2nn[n-]n2)nc1NC1CCC1 ZINC001592113018 983118204 /nfs/dbraw/zinc/11/82/04/983118204.db2.gz CUDIDOQGPDLOOL-UHFFFAOYSA-N -1 1 230.275 1.535 20 0 BDADMM Cc1nsc(N2CC3(CC3)C2)c1-c1nn[n-]n1 ZINC001592471701 983167946 /nfs/dbraw/zinc/16/79/46/983167946.db2.gz FIHVLSBUPMLSIV-UHFFFAOYSA-N -1 1 248.315 1.232 20 0 BDADMM FC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592632147 983188593 /nfs/dbraw/zinc/18/85/93/983188593.db2.gz QOVSJIVFNVJDSE-UHFFFAOYSA-N -1 1 248.265 1.200 20 0 BDADMM FC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592632147 983188599 /nfs/dbraw/zinc/18/85/99/983188599.db2.gz QOVSJIVFNVJDSE-UHFFFAOYSA-N -1 1 248.265 1.200 20 0 BDADMM O=C(OC1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593282727 983250788 /nfs/dbraw/zinc/25/07/88/983250788.db2.gz ZPXFWBNMIKQSBK-UHFFFAOYSA-N -1 1 234.215 1.169 20 0 BDADMM O=C(OC1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593282727 983250796 /nfs/dbraw/zinc/25/07/96/983250796.db2.gz ZPXFWBNMIKQSBK-UHFFFAOYSA-N -1 1 234.215 1.169 20 0 BDADMM C[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)C1(C)CC1 ZINC001354290552 983259467 /nfs/dbraw/zinc/25/94/67/983259467.db2.gz YPOZHVUBPNWSCQ-LURJTMIESA-N -1 1 233.275 1.033 20 0 BDADMM CC(C)CN(Cc1nn[n-]n1)C(=O)C(C)(C)C ZINC001593758168 983360329 /nfs/dbraw/zinc/36/03/29/983360329.db2.gz ANHQESCVHZXKLE-UHFFFAOYSA-N -1 1 239.323 1.230 20 0 BDADMM COc1nscc1[N-]C(=O)c1n[nH]cc1F ZINC001593909896 983396830 /nfs/dbraw/zinc/39/68/30/983396830.db2.gz QGUAYYKPMRMRSW-UHFFFAOYSA-N -1 1 242.235 1.266 20 0 BDADMM CCN(CC(C)(C)C)C(=O)c1cnncc1[O-] ZINC001358239334 983841523 /nfs/dbraw/zinc/84/15/23/983841523.db2.gz FDQPTYISBZYFHR-UHFFFAOYSA-N -1 1 237.303 1.690 20 0 BDADMM NC(=O)c1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242800613 984171528 /nfs/dbraw/zinc/17/15/28/984171528.db2.gz IYVHKBHILPNVBW-UHFFFAOYSA-N -1 1 249.657 1.602 20 0 BDADMM Cc1ccccc1NC(=O)c1cnncc1[O-] ZINC001440564672 984422608 /nfs/dbraw/zinc/42/26/08/984422608.db2.gz GLSUOINUSBQHOS-UHFFFAOYSA-N -1 1 229.239 1.743 20 0 BDADMM C/C(=C/C(=O)[O-])CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC001588945045 984651371 /nfs/dbraw/zinc/65/13/71/984651371.db2.gz HGAUZUFMSARYFX-OWBUSAQLSA-N -1 1 227.304 1.515 20 0 BDADMM O=C(CNC(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001446712299 984673870 /nfs/dbraw/zinc/67/38/70/984673870.db2.gz VRVAQGRNSDYGBL-UHFFFAOYSA-N -1 1 237.230 1.240 20 0 BDADMM C/C(=C\CN(C)Cc1ccc(C)cn1)C(=O)[O-] ZINC001588956534 984705302 /nfs/dbraw/zinc/70/53/02/984705302.db2.gz SBFBYQVBPTWVAJ-IZZDOVSWSA-N -1 1 234.299 1.853 20 0 BDADMM C/C(=C/CN1CCC[C@@](C)(F)C1)C(=O)[O-] ZINC001588959730 984726565 /nfs/dbraw/zinc/72/65/65/984726565.db2.gz PSJNEQWXCZHYPD-KSHIFHCESA-N -1 1 215.268 1.841 20 0 BDADMM C[C@@H]1OCCN(C(=O)c2ccc([O-])cn2)[C@H]1C ZINC001546002417 984806333 /nfs/dbraw/zinc/80/63/33/984806333.db2.gz KOQCDRWTVIODHA-IUCAKERBSA-N -1 1 236.271 1.037 20 0 BDADMM C/C(=C\CN[C@H](CCO)c1ccco1)C(=O)[O-] ZINC001588981581 984864456 /nfs/dbraw/zinc/86/44/56/984864456.db2.gz ASEHDYVGWUHNLN-WXLQGSQKSA-N -1 1 239.271 1.324 20 0 BDADMM O=C(N[C@@H]1CCOC1)c1cccc([O-])c1F ZINC001546058171 985017495 /nfs/dbraw/zinc/01/74/95/985017495.db2.gz FTMFITFZGCKDNI-SSDOTTSWSA-N -1 1 225.219 1.050 20 0 BDADMM CC1(NC(=O)c2cccc([O-])c2F)COC1 ZINC001454650960 985043950 /nfs/dbraw/zinc/04/39/50/985043950.db2.gz UYAZEXVETPZDQS-UHFFFAOYSA-N -1 1 225.219 1.050 20 0 BDADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])n1ccnc1 ZINC001454760596 985049507 /nfs/dbraw/zinc/04/95/07/985049507.db2.gz YRUKNDZXLMRQMF-MRVPVSSYSA-N -1 1 249.245 1.928 20 0 BDADMM CC(C)[C@H](CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001457378861 985206185 /nfs/dbraw/zinc/20/61/85/985206185.db2.gz SBEFCHRKOTVNQK-JTQLQIEISA-N -1 1 241.262 1.278 20 0 BDADMM CCOC(CN(CC(=O)[O-])[C@H](C)CC)OCC ZINC001596784570 985249237 /nfs/dbraw/zinc/24/92/37/985249237.db2.gz PUVBGRSQYSKKEL-SNVBAGLBSA-N -1 1 247.335 1.571 20 0 BDADMM CC(C)=CCC[C@@H](C)[NH2+]CCP(=O)([O-])[O-] ZINC001258075982 985382684 /nfs/dbraw/zinc/38/26/84/985382684.db2.gz HZRTYSSAENYXKR-SNVBAGLBSA-N -1 1 235.264 1.889 20 0 BDADMM CCOCCN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001596931661 986024964 /nfs/dbraw/zinc/02/49/64/986024964.db2.gz AOKYXYGOCXVICX-MRVPVSSYSA-N -1 1 227.260 1.665 20 0 BDADMM CCCc1nnc(-c2ncccc2[O-])o1 ZINC001253938242 986453623 /nfs/dbraw/zinc/45/36/23/986453623.db2.gz ABWNASPDGQRZCQ-UHFFFAOYSA-N -1 1 205.217 1.790 20 0 BDADMM O=C([O-])c1cccc(CN2CCC(F)CC2)n1 ZINC000689450308 986616541 /nfs/dbraw/zinc/61/65/41/986616541.db2.gz ALVCIWWJLLQNND-UHFFFAOYSA-N -1 1 238.262 1.714 20 0 BDADMM Cc1[nH]nc(C(=O)N(C)c2cccc(C)n2)c1[O-] ZINC001465361608 986714625 /nfs/dbraw/zinc/71/46/25/986714625.db2.gz SRZZDFIXIUPCOQ-UHFFFAOYSA-N -1 1 246.270 1.404 20 0 BDADMM CC[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001137325258 986772911 /nfs/dbraw/zinc/77/29/11/986772911.db2.gz XPNSFFAQFHELSR-SECBINFHSA-N -1 1 220.272 1.659 20 0 BDADMM CO[C@@H](C)[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001466901262 986829740 /nfs/dbraw/zinc/82/97/40/986829740.db2.gz CWIISELRXLBDLM-YUMQZZPRSA-N -1 1 241.262 1.685 20 0 BDADMM COC(=O)c1ncncc1-c1c([O-])cccc1F ZINC001245654060 987022989 /nfs/dbraw/zinc/02/29/89/987022989.db2.gz DKYQGLZVGKNTFJ-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM COC[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001471545112 987094120 /nfs/dbraw/zinc/09/41/20/987094120.db2.gz VAGKGTZSDLOOMG-ZETCQYMHSA-N -1 1 227.235 1.296 20 0 BDADMM CNC(=S)n1[n-]c(C2CCCC2)cc1=O ZINC001245928623 987185778 /nfs/dbraw/zinc/18/57/78/987185778.db2.gz MLVRNUACWXIFRQ-UHFFFAOYSA-N -1 1 225.317 1.599 20 0 BDADMM COc1ccc(-n2[n-]c(C)cc2=O)c(OC)c1 ZINC001245928343 987188493 /nfs/dbraw/zinc/18/84/93/987188493.db2.gz VOPGBWHNLSBEDL-UHFFFAOYSA-N -1 1 234.255 1.904 20 0 BDADMM Cc1ccsc1C(=O)Nc1c[n-][nH]c1=O ZINC001472569449 987237059 /nfs/dbraw/zinc/23/70/59/987237059.db2.gz IKVGUBFCNZWZRV-UHFFFAOYSA-N -1 1 223.257 1.738 20 0 BDADMM COc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1C ZINC001472570206 987243948 /nfs/dbraw/zinc/24/39/48/987243948.db2.gz QTKBVFSGHCZLAX-UHFFFAOYSA-N -1 1 247.254 1.685 20 0 BDADMM CCc1cncc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001472570403 987245236 /nfs/dbraw/zinc/24/52/36/987245236.db2.gz FJSDQZGHMUGXPB-UHFFFAOYSA-N -1 1 232.243 1.325 20 0 BDADMM CCS[C@@H](C(=O)Nc1c[n-][nH]c1=O)C(C)C ZINC001472570645 987245477 /nfs/dbraw/zinc/24/54/77/987245477.db2.gz JSDCDVFCQUBNFK-MRVPVSSYSA-N -1 1 243.332 1.832 20 0 BDADMM Cc1csc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001472570539 987246451 /nfs/dbraw/zinc/24/64/51/987246451.db2.gz WHKXFDBNLRMVQX-UHFFFAOYSA-N -1 1 223.257 1.738 20 0 BDADMM Cc1nonc1[C@@H](C)NCCC(C)(C)C(=O)[O-] ZINC001594502343 987849244 /nfs/dbraw/zinc/84/92/44/987849244.db2.gz WHMCEENQSSDIAR-SSDOTTSWSA-N -1 1 241.291 1.530 20 0 BDADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@H](C)CC ZINC001117820232 987939024 /nfs/dbraw/zinc/93/90/24/987939024.db2.gz YSZFXMGMKBQXOE-SECBINFHSA-N -1 1 245.319 1.812 20 0 BDADMM CCCc1noc(CN[C@H](C)[C@H](C)C(=O)[O-])n1 ZINC001118251452 988159069 /nfs/dbraw/zinc/15/90/69/988159069.db2.gz OQLYDBIXILZXTO-JGVFFNPUSA-N -1 1 241.291 1.221 20 0 BDADMM CSc1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001599812748 988365604 /nfs/dbraw/zinc/36/56/04/988365604.db2.gz CMDRJEUAJDGRHU-SNVBAGLBSA-N -1 1 243.303 1.921 20 0 BDADMM C[C@@H](CC(=O)[O-])OC(=O)c1ccc2cncn2c1 ZINC001599834566 988723114 /nfs/dbraw/zinc/72/31/14/988723114.db2.gz GKZQLFQMXQULNH-QMMMGPOBSA-N -1 1 248.238 1.354 20 0 BDADMM O=C([O-])[C@@]1(NC/C(Cl)=C\Cl)CCOC1 ZINC001601718218 988884871 /nfs/dbraw/zinc/88/48/71/988884871.db2.gz DZLINRHMDKZMBA-GWSCVKMXSA-N -1 1 240.086 1.139 20 0 BDADMM Cc1cnc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)o1 ZINC001119612195 989234477 /nfs/dbraw/zinc/23/44/77/989234477.db2.gz WXHUIZFYJHJSQM-ONGXEEELSA-N -1 1 240.303 1.818 20 0 BDADMM Cc1cnc(CNC(C)(C)C[C@H](C)C(=O)[O-])o1 ZINC001119612288 989235208 /nfs/dbraw/zinc/23/52/08/989235208.db2.gz ZRNRYJAGGRLCJH-QMMMGPOBSA-N -1 1 240.303 1.962 20 0 BDADMM C[C@@H](C(=O)N(C)c1nn[n-]n1)c1ccsc1 ZINC001119655748 989307145 /nfs/dbraw/zinc/30/71/45/989307145.db2.gz NLSQICDRYLXGMZ-ZCFIWIBFSA-N -1 1 237.288 1.028 20 0 BDADMM C[C@@H](CC(=O)[O-])NC1(c2ncccn2)CCC1 ZINC001603134107 989323800 /nfs/dbraw/zinc/32/38/00/989323800.db2.gz NPMRDABDWWWKKV-VIFPVBQESA-N -1 1 235.287 1.309 20 0 BDADMM C[C@H](CC(=O)[O-])NC1(c2ncccn2)CCC1 ZINC001603134106 989326118 /nfs/dbraw/zinc/32/61/18/989326118.db2.gz NPMRDABDWWWKKV-SECBINFHSA-N -1 1 235.287 1.309 20 0 BDADMM CCc1oc(CN(CC)CCO)cc1C(=O)[O-] ZINC001597796977 989358491 /nfs/dbraw/zinc/35/84/91/989358491.db2.gz UCSUMLMEGANDME-UHFFFAOYSA-N -1 1 241.287 1.354 20 0 BDADMM 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1.485 20 0 BDADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])C(F)F ZINC000452671382 387885503 /nfs/dbraw/zinc/88/55/03/387885503.db2.gz MMSHKFWCFCJCNV-ZETCQYMHSA-N -1 1 244.241 1.869 20 0 BDADMM Cc1nnc([N-]C(=O)c2ncccc2F)s1 ZINC000169930182 387930401 /nfs/dbraw/zinc/93/04/01/387930401.db2.gz KUTOSATUYBRTHU-UHFFFAOYSA-N -1 1 238.247 1.633 20 0 BDADMM C[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])[C@@H]1C(=O)[O-] ZINC000424276085 387947981 /nfs/dbraw/zinc/94/79/81/387947981.db2.gz XYJGZJNGFSVWIZ-KOLCDFICSA-N -1 1 243.303 1.426 20 0 BDADMM O=S(=O)(CCC1CC1)[N-]c1cccc(F)n1 ZINC000156272241 387950478 /nfs/dbraw/zinc/95/04/78/387950478.db2.gz VSZODHXZPRPGNP-UHFFFAOYSA-N -1 1 244.291 1.763 20 0 BDADMM CCc1cc(=O)[n-]c(S[C@@H](C)COC)n1 ZINC000195072756 388096012 /nfs/dbraw/zinc/09/60/12/388096012.db2.gz CKSIKZJUQJNDJZ-ZETCQYMHSA-N -1 1 228.317 1.459 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC=CCC1 ZINC000646409370 388351617 /nfs/dbraw/zinc/35/16/17/388351617.db2.gz GZKWZTJMKMRUTL-QMMMGPOBSA-N -1 1 221.260 1.719 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccs1 ZINC000646409330 388351891 /nfs/dbraw/zinc/35/18/91/388351891.db2.gz TURDCIXQWAAFMN-UHFFFAOYSA-N -1 1 223.257 1.738 20 0 BDADMM COc1ccnc(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646410470 388351982 /nfs/dbraw/zinc/35/19/82/388351982.db2.gz JHXRWUCAALNWNK-UHFFFAOYSA-N -1 1 248.242 1.080 20 0 BDADMM CC[C@@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000646409527 388352033 /nfs/dbraw/zinc/35/20/33/388352033.db2.gz KZWIPMGOPCEWHV-ZCFIWIBFSA-N -1 1 211.265 1.798 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccnc1 ZINC000646412144 388353456 /nfs/dbraw/zinc/35/34/56/388353456.db2.gz DPJCLKWWJTWXFU-UHFFFAOYSA-N -1 1 218.216 1.071 20 0 BDADMM CC(=O)c1c[nH]c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646413265 388354468 /nfs/dbraw/zinc/35/44/68/388354468.db2.gz YLXDQSOQDZESOF-UHFFFAOYSA-N -1 1 248.242 1.207 20 0 BDADMM C[C@@]1(C(=O)Nc2nnn[n-]2)CCc2ccccc21 ZINC000648788456 388356771 /nfs/dbraw/zinc/35/67/71/388356771.db2.gz HCAWMLSLDADABL-GFCCVEGCSA-N -1 1 243.270 1.042 20 0 BDADMM C[C@@]1(C(=O)Nc2nn[n-]n2)CCc2ccccc21 ZINC000648788456 388356772 /nfs/dbraw/zinc/35/67/72/388356772.db2.gz HCAWMLSLDADABL-GFCCVEGCSA-N -1 1 243.270 1.042 20 0 BDADMM CSc1n[nH]c(NC(=O)/C=C/C2CCC2)n1 ZINC000492098193 388334858 /nfs/dbraw/zinc/33/48/58/388334858.db2.gz ZPZDRURDNHVLFX-AATRIKPKSA-N -1 1 238.316 1.821 20 0 BDADMM Cn1ccnc1NC(=O)c1ccccc1[O-] ZINC000335351128 388449602 /nfs/dbraw/zinc/44/96/02/388449602.db2.gz HWBNYOOWHYKTFH-UHFFFAOYSA-N -1 1 217.228 1.378 20 0 BDADMM CC/C=C/CNC(=O)c1ncccc1[O-] ZINC000295914903 388415213 /nfs/dbraw/zinc/41/52/13/388415213.db2.gz IKAFQPNYXBOEBU-ONEGZZNKSA-N -1 1 206.245 1.483 20 0 BDADMM C[C@@H](CNC(=O)c1cncc([O-])c1)CC(F)F ZINC000648961027 388586955 /nfs/dbraw/zinc/58/69/55/388586955.db2.gz STIDZYIDVQHTOB-SSDOTTSWSA-N -1 1 244.241 1.808 20 0 BDADMM CC(C)(O)CC(=O)Nc1cccc(F)c1[O-] ZINC000530005207 388602879 /nfs/dbraw/zinc/60/28/79/388602879.db2.gz IQLAODLVKYPXSE-UHFFFAOYSA-N -1 1 227.235 1.631 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])C1(O)CCC1 ZINC000530006469 388603839 /nfs/dbraw/zinc/60/38/39/388603839.db2.gz SNPLYDUARDAIRV-UHFFFAOYSA-N -1 1 225.219 1.385 20 0 BDADMM C[C@](O)(C(=O)Nc1cccc(F)c1[O-])C1CC1 ZINC000530006091 388604272 /nfs/dbraw/zinc/60/42/72/388604272.db2.gz OKCBVBYWVRMVBX-GFCCVEGCSA-N -1 1 239.246 1.631 20 0 BDADMM CCN(CC)S(=O)(=O)[N-]c1ncsc1C ZINC000530140603 388616232 /nfs/dbraw/zinc/61/62/32/388616232.db2.gz NKOLONPHBAUGQJ-UHFFFAOYSA-N -1 1 249.361 1.450 20 0 BDADMM CCC[C@@H](C)CS(=O)(=O)[N-]CC(C)(F)F ZINC000549523022 388583393 /nfs/dbraw/zinc/58/33/93/388583393.db2.gz PVOPJKQSPLLWBX-MRVPVSSYSA-N -1 1 243.319 1.997 20 0 BDADMM CCc1ccc(C=CC(=O)Nc2nnn[n-]2)o1 ZINC000125466060 388671879 /nfs/dbraw/zinc/67/18/79/388671879.db2.gz QUYJBGRZNCHATA-AATRIKPKSA-N -1 1 233.231 1.007 20 0 BDADMM CCc1ccc(C=CC(=O)Nc2nn[n-]n2)o1 ZINC000125466060 388671882 /nfs/dbraw/zinc/67/18/82/388671882.db2.gz QUYJBGRZNCHATA-AATRIKPKSA-N -1 1 233.231 1.007 20 0 BDADMM O=C(N[C@H]1CCOC1)c1ccc([O-])cc1F ZINC000229790185 388800253 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C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589987057 982891436 /nfs/dbraw/zinc/89/14/36/982891436.db2.gz CFCZVJZTUWALJN-ZETCQYMHSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589987057 982891437 /nfs/dbraw/zinc/89/14/37/982891437.db2.gz CFCZVJZTUWALJN-ZETCQYMHSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1ccnc(-c2nnn[n-]2)c1 ZINC001590231708 982903352 /nfs/dbraw/zinc/90/33/52/982903352.db2.gz ZHCKLCIELJVPOE-RKDXNWHRSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H]1CC[C@@H](C)N1c1ccnc(-c2nn[n-]n2)c1 ZINC001590231708 982903355 /nfs/dbraw/zinc/90/33/55/982903355.db2.gz ZHCKLCIELJVPOE-RKDXNWHRSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590260185 982903477 /nfs/dbraw/zinc/90/34/77/982903477.db2.gz DOQDNPFRFPOVMS-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM C[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590260185 982903497 /nfs/dbraw/zinc/90/34/97/982903497.db2.gz DOQDNPFRFPOVMS-SECBINFHSA-N -1 1 244.302 1.498 20 0 BDADMM C[C@@H]1CCCC[C@H]1Cn1cnc(-c2nn[n-]n2)n1 ZINC001590253152 982907146 /nfs/dbraw/zinc/90/71/46/982907146.db2.gz QWDQDQSJVPKEAN-BDAKNGLRSA-N -1 1 247.306 1.285 20 0 BDADMM C[C@H]1CCCC[C@H]1Cn1cnc(-c2nn[n-]n2)n1 ZINC001590253154 982912922 /nfs/dbraw/zinc/91/29/22/982912922.db2.gz QWDQDQSJVPKEAN-IUCAKERBSA-N -1 1 247.306 1.285 20 0 BDADMM CC1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590299134 982921792 /nfs/dbraw/zinc/92/17/92/982921792.db2.gz WGHNBAYPADUPDO-UHFFFAOYSA-N -1 1 249.299 1.020 20 0 BDADMM CC1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590299134 982921798 /nfs/dbraw/zinc/92/17/98/982921798.db2.gz WGHNBAYPADUPDO-UHFFFAOYSA-N -1 1 249.299 1.020 20 0 BDADMM C[C@H]1CCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590264612 982924127 /nfs/dbraw/zinc/92/41/27/982924127.db2.gz OEXPCWZJTGXJLJ-ZETCQYMHSA-N -1 1 247.258 1.084 20 0 BDADMM C[C@H]1CCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590264612 982924148 /nfs/dbraw/zinc/92/41/48/982924148.db2.gz OEXPCWZJTGXJLJ-ZETCQYMHSA-N -1 1 247.258 1.084 20 0 BDADMM C/C=C/CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590355294 982937838 /nfs/dbraw/zinc/93/78/38/982937838.db2.gz QSPVJPWYUIZXBT-ONEGZZNKSA-N -1 1 230.275 1.558 20 0 BDADMM C/C=C/CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590355294 982937848 /nfs/dbraw/zinc/93/78/48/982937848.db2.gz QSPVJPWYUIZXBT-ONEGZZNKSA-N -1 1 230.275 1.558 20 0 BDADMM CC/C=C\CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590532428 982958227 /nfs/dbraw/zinc/95/82/27/982958227.db2.gz VDFJLQJSKHKEMW-PLNGDYQASA-N -1 1 244.302 1.948 20 0 BDADMM CC/C=C\CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590532428 982958236 /nfs/dbraw/zinc/95/82/36/982958236.db2.gz VDFJLQJSKHKEMW-PLNGDYQASA-N -1 1 244.302 1.948 20 0 BDADMM CCN(c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001590725241 982982837 /nfs/dbraw/zinc/98/28/37/982982837.db2.gz OTFOVXWKWSXSMB-UHFFFAOYSA-N -1 1 247.306 1.200 20 0 BDADMM CCN(c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001590725241 982982846 /nfs/dbraw/zinc/98/28/46/982982846.db2.gz OTFOVXWKWSXSMB-UHFFFAOYSA-N -1 1 247.306 1.200 20 0 BDADMM CC[C@@H]1C[C@H]1COc1cccnc1-c1nnn[n-]1 ZINC001590860659 983002806 /nfs/dbraw/zinc/00/28/06/983002806.db2.gz WAHRJNCXGYKTMJ-BDAKNGLRSA-N -1 1 245.286 1.687 20 0 BDADMM CC[C@@H]1C[C@H]1COc1cccnc1-c1nn[n-]n1 ZINC001590860659 983002816 /nfs/dbraw/zinc/00/28/16/983002816.db2.gz WAHRJNCXGYKTMJ-BDAKNGLRSA-N -1 1 245.286 1.687 20 0 BDADMM CN(c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001591157363 983043637 /nfs/dbraw/zinc/04/36/37/983043637.db2.gz GKGKGLXSPONJQL-UHFFFAOYSA-N -1 1 230.275 1.250 20 0 BDADMM CN(c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001591157363 983043647 /nfs/dbraw/zinc/04/36/47/983043647.db2.gz GKGKGLXSPONJQL-UHFFFAOYSA-N -1 1 230.275 1.250 20 0 BDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001591160222 983045743 /nfs/dbraw/zinc/04/57/43/983045743.db2.gz RYNRTNIPESSINJ-UHFFFAOYSA-N -1 1 245.290 1.036 20 0 BDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591160222 983045754 /nfs/dbraw/zinc/04/57/54/983045754.db2.gz RYNRTNIPESSINJ-UHFFFAOYSA-N -1 1 245.290 1.036 20 0 BDADMM C[C@@H](C(=O)[O-])C1(NCc2cscn2)CC1 ZINC001353946117 983097457 /nfs/dbraw/zinc/09/74/57/983097457.db2.gz SJZVVMJGRKNWFB-ZETCQYMHSA-N -1 1 226.301 1.486 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC2CC2)n1 ZINC001591895485 983104567 /nfs/dbraw/zinc/10/45/67/983104567.db2.gz MEZDASVTXXQKSS-UHFFFAOYSA-N -1 1 245.290 1.177 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC2CC2)n1 ZINC001591895485 983104572 /nfs/dbraw/zinc/10/45/72/983104572.db2.gz MEZDASVTXXQKSS-UHFFFAOYSA-N -1 1 245.290 1.177 20 0 BDADMM Cc1cc(N[C@H]2CC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592036846 983110192 /nfs/dbraw/zinc/11/01/92/983110192.db2.gz BGWQAYDSPJVGLA-XVKPBYJWSA-N -1 1 244.302 1.202 20 0 BDADMM Cc1cc(N[C@H]2CC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592036846 983110200 /nfs/dbraw/zinc/11/02/00/983110200.db2.gz BGWQAYDSPJVGLA-XVKPBYJWSA-N -1 1 244.302 1.202 20 0 BDADMM Cc1cc(NCC(C)C)cc(-c2nnn[n-]2)n1 ZINC001592038464 983111424 /nfs/dbraw/zinc/11/14/24/983111424.db2.gz GKOFSXWNLSVFKD-UHFFFAOYSA-N -1 1 232.291 1.638 20 0 BDADMM Cc1cc(NCC(C)C)cc(-c2nn[n-]n2)n1 ZINC001592038464 983111433 /nfs/dbraw/zinc/11/14/33/983111433.db2.gz GKOFSXWNLSVFKD-UHFFFAOYSA-N -1 1 232.291 1.638 20 0 BDADMM Cc1ccc(N2C[C@@H]3C[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001592175358 983116315 /nfs/dbraw/zinc/11/63/15/983116315.db2.gz QGNZQWIUPVSCGQ-DTORHVGOSA-N -1 1 242.286 1.026 20 0 BDADMM Cc1ccc(N2C[C@@H]3C[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592175358 983116321 /nfs/dbraw/zinc/11/63/21/983116321.db2.gz QGNZQWIUPVSCGQ-DTORHVGOSA-N -1 1 242.286 1.026 20 0 BDADMM CN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1nn[n-]n1 ZINC001354092374 983152226 /nfs/dbraw/zinc/15/22/26/983152226.db2.gz FMVQAFDKPLUPLW-IUCAKERBSA-N -1 1 249.318 1.379 20 0 BDADMM FCCCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592630234 983183067 /nfs/dbraw/zinc/18/30/67/983183067.db2.gz UBHPVCNFDNFDQD-UHFFFAOYSA-N -1 1 236.254 1.423 20 0 BDADMM FCCCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592630234 983183069 /nfs/dbraw/zinc/18/30/69/983183069.db2.gz UBHPVCNFDNFDQD-UHFFFAOYSA-N -1 1 236.254 1.423 20 0 BDADMM c1coc(Sc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593562457 983301546 /nfs/dbraw/zinc/30/15/46/983301546.db2.gz KQAARPNSMXTGEO-UHFFFAOYSA-N -1 1 246.255 1.401 20 0 BDADMM c1coc(Sc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593562457 983301548 /nfs/dbraw/zinc/30/15/48/983301548.db2.gz KQAARPNSMXTGEO-UHFFFAOYSA-N -1 1 246.255 1.401 20 0 BDADMM c1cc(N2CC(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557422 983303619 /nfs/dbraw/zinc/30/36/19/983303619.db2.gz LOTDIXKWVITAPS-UHFFFAOYSA-N -1 1 242.286 1.108 20 0 BDADMM c1cc(N2CC(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557422 983303628 /nfs/dbraw/zinc/30/36/28/983303628.db2.gz LOTDIXKWVITAPS-UHFFFAOYSA-N -1 1 242.286 1.108 20 0 BDADMM c1nc(NCCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593591976 983307324 /nfs/dbraw/zinc/30/73/24/983307324.db2.gz YDNTXPHHLYGNRS-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM c1nc(NCCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593591976 983307318 /nfs/dbraw/zinc/30/73/18/983307318.db2.gz YDNTXPHHLYGNRS-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM c1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001593582549 983308489 /nfs/dbraw/zinc/30/84/89/983308489.db2.gz VAOAPNZQLBLOMP-KXUCPTDWSA-N -1 1 244.302 1.499 20 0 BDADMM c1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001593582549 983308495 /nfs/dbraw/zinc/30/84/95/983308495.db2.gz VAOAPNZQLBLOMP-KXUCPTDWSA-N -1 1 244.302 1.499 20 0 BDADMM CCNC(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001202538494 983910502 /nfs/dbraw/zinc/91/05/02/983910502.db2.gz NMMZUWSDHTZHKE-UHFFFAOYSA-N -1 1 228.277 1.046 20 0 BDADMM Cc1oncc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242603932 983958933 /nfs/dbraw/zinc/95/89/33/983958933.db2.gz FWQIIDPPDXWUNJ-UHFFFAOYSA-N -1 1 242.234 1.463 20 0 BDADMM NC(=O)c1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242799087 984170865 /nfs/dbraw/zinc/17/08/65/984170865.db2.gz SSAPTMOWRNLEEJ-UHFFFAOYSA-N -1 1 249.657 1.602 20 0 BDADMM CCOC(=O)[C@@H](C)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001596518779 984310605 /nfs/dbraw/zinc/31/06/05/984310605.db2.gz FZUAMGDLXCBINE-BXKDBHETSA-N -1 1 243.303 1.125 20 0 BDADMM O=C([N-]c1c(F)ccnc1F)c1ncccn1 ZINC001274533165 984350729 /nfs/dbraw/zinc/35/07/29/984350729.db2.gz RJBVVYUIWQVLQY-UHFFFAOYSA-N -1 1 236.181 1.402 20 0 BDADMM Cn1nnc2c1ncnc2-c1ccc(F)c([O-])c1 ZINC001243046204 984388449 /nfs/dbraw/zinc/38/84/49/984388449.db2.gz CEUYVHXAKQQDFS-UHFFFAOYSA-N -1 1 245.217 1.270 20 0 BDADMM [O-]c1cc(-c2nc(F)nc3[nH]cnc32)ccc1F ZINC001243050263 984400511 /nfs/dbraw/zinc/40/05/11/984400511.db2.gz WINKSSGZJUGOJX-UHFFFAOYSA-N -1 1 248.192 1.955 20 0 BDADMM Nc1cnc(-c2ccc(F)c([O-])c2)nc1 ZINC001243051934 984411436 /nfs/dbraw/zinc/41/14/36/984411436.db2.gz PXGQMYWDAYEJNH-UHFFFAOYSA-N -1 1 205.192 1.571 20 0 BDADMM Cc1nnc([N-]C(=O)c2ccns2)s1 ZINC001441965233 984487673 /nfs/dbraw/zinc/48/76/73/984487673.db2.gz GKUSBKJVXBAJHF-UHFFFAOYSA-N -1 1 226.286 1.555 20 0 BDADMM CC[C@@H](COC)NC(=O)c1ccc(F)c([O-])c1 ZINC001444623978 984559129 /nfs/dbraw/zinc/55/91/29/984559129.db2.gz NPICZIIUULGFNT-VIFPVBQESA-N -1 1 241.262 1.686 20 0 BDADMM C[C@@H](O)CCCNC(=O)c1ccc(F)c([O-])c1 ZINC001448569415 984817225 /nfs/dbraw/zinc/81/72/25/984817225.db2.gz IOTFWFWNJWUPBE-MRVPVSSYSA-N -1 1 241.262 1.422 20 0 BDADMM CC(=O)CC1(C(=O)[N-]OC(C)C)CCC1 ZINC001450272838 984867193 /nfs/dbraw/zinc/86/71/93/984867193.db2.gz MEMDSOGBLPGWKQ-UHFFFAOYSA-N -1 1 213.277 1.592 20 0 BDADMM CCON(C(=O)c1ccc([O-])cn1)C(C)C ZINC001452403422 984928047 /nfs/dbraw/zinc/92/80/47/984928047.db2.gz QYLGZGZDFBDMEV-UHFFFAOYSA-N -1 1 224.260 1.589 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])c1cnco1 ZINC001454756794 985048895 /nfs/dbraw/zinc/04/88/95/985048895.db2.gz MVIGHFGOEXQFTQ-UHFFFAOYSA-N -1 1 222.175 1.772 20 0 BDADMM C[C@H]1C[C@@H](C(=O)[N-]OCCC(F)(F)F)CO1 ZINC000686772433 985211492 /nfs/dbraw/zinc/21/14/92/985211492.db2.gz RRLMBDXJDLJTTC-NKWVEPMBSA-N -1 1 241.209 1.412 20 0 BDADMM CCn1cccc1C(=O)Nc1ccncc1[O-] ZINC001457616604 985224468 /nfs/dbraw/zinc/22/44/68/985224468.db2.gz NWMVUHSZXNLZCK-UHFFFAOYSA-N -1 1 231.255 1.283 20 0 BDADMM Cc1nsc(C)c1C(=O)[N-]n1ccccc1=O 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C[C@@]1(C(=O)[O-])CCN(Cc2cc3n(n2)CCC3)C1 ZINC001353897522 983060323 /nfs/dbraw/zinc/06/03/23/983060323.db2.gz UVFWZUYEZHDMSW-CYBMUJFWSA-N -1 1 249.314 1.126 20 0 BDADMM CO[C@@H](C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591324481 983062274 /nfs/dbraw/zinc/06/22/74/983062274.db2.gz NHKOBHZVXCXRKK-SFYZADRCSA-N -1 1 248.290 1.097 20 0 BDADMM CO[C@@H](C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591324481 983062284 /nfs/dbraw/zinc/06/22/84/983062284.db2.gz NHKOBHZVXCXRKK-SFYZADRCSA-N -1 1 248.290 1.097 20 0 BDADMM C[C@@H](O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001591731457 983089562 /nfs/dbraw/zinc/08/95/62/983089562.db2.gz IRCMWOOEILNVEV-ZCFIWIBFSA-N -1 1 240.288 1.074 20 0 BDADMM C[C@@H](O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001591731457 983089573 /nfs/dbraw/zinc/08/95/73/983089573.db2.gz IRCMWOOEILNVEV-ZCFIWIBFSA-N -1 1 240.288 1.074 20 0 BDADMM Cc1ccc(N[C@@H]2C=CCC2)c(-c2nnn[n-]2)n1 ZINC001592184899 983116440 /nfs/dbraw/zinc/11/64/40/983116440.db2.gz YFAFOCQOUQJPAL-SECBINFHSA-N -1 1 242.286 1.701 20 0 BDADMM Cc1ccc(N[C@@H]2C=CCC2)c(-c2nn[n-]n2)n1 ZINC001592184899 983116450 /nfs/dbraw/zinc/11/64/50/983116450.db2.gz YFAFOCQOUQJPAL-SECBINFHSA-N -1 1 242.286 1.701 20 0 BDADMM Cc1ccc(N2CC[C@@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176975 983118847 /nfs/dbraw/zinc/11/88/47/983118847.db2.gz GYLOLRQETLQQRY-MRVPVSSYSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1ccc(N2CC[C@@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176975 983118849 /nfs/dbraw/zinc/11/88/49/983118849.db2.gz GYLOLRQETLQQRY-MRVPVSSYSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n([C@H]2C=CCCC2)c1C ZINC001592340172 983139663 /nfs/dbraw/zinc/13/96/63/983139663.db2.gz WSJWZAHFUCSTMY-JTQLQIEISA-N -1 1 244.302 1.961 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n([C@H]2C=CCCC2)c1C ZINC001592340172 983139667 /nfs/dbraw/zinc/13/96/67/983139667.db2.gz WSJWZAHFUCSTMY-JTQLQIEISA-N -1 1 244.302 1.961 20 0 BDADMM Cc1nc(NCC2(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001592386176 983156467 /nfs/dbraw/zinc/15/64/67/983156467.db2.gz PCNYSLNXCMGURT-UHFFFAOYSA-N -1 1 245.290 1.177 20 0 BDADMM Cc1nc(NCC2(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001592386176 983156473 /nfs/dbraw/zinc/15/64/73/983156473.db2.gz PCNYSLNXCMGURT-UHFFFAOYSA-N -1 1 245.290 1.177 20 0 BDADMM Cc1nc(N[C@H]2CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592382172 983156494 /nfs/dbraw/zinc/15/64/94/983156494.db2.gz JMTVDZZIPAZYTD-SVRRBLITSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1nc(N[C@H]2CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592382172 983156499 /nfs/dbraw/zinc/15/64/99/983156499.db2.gz JMTVDZZIPAZYTD-SVRRBLITSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)C(C)C ZINC001592494904 983173587 /nfs/dbraw/zinc/17/35/87/983173587.db2.gz FZUDICVPRUVAKT-UHFFFAOYSA-N -1 1 249.274 1.249 20 0 BDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)C(C)C ZINC001592494904 983173595 /nfs/dbraw/zinc/17/35/95/983173595.db2.gz FZUDICVPRUVAKT-UHFFFAOYSA-N -1 1 249.274 1.249 20 0 BDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CC12CCC2 ZINC001593551080 983300101 /nfs/dbraw/zinc/30/01/01/983300101.db2.gz GKQZMYMFRAUDFR-QMMMGPOBSA-N -1 1 243.274 1.011 20 0 BDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CC12CCC2 ZINC001593551080 983300106 /nfs/dbraw/zinc/30/01/06/983300106.db2.gz GKQZMYMFRAUDFR-QMMMGPOBSA-N -1 1 243.274 1.011 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(NCCC2CC2)c1 ZINC001593585524 983308453 /nfs/dbraw/zinc/30/84/53/983308453.db2.gz VRTVNXWRMQADIS-UHFFFAOYSA-N -1 1 230.275 1.474 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(NCCC2CC2)c1 ZINC001593585524 983308459 /nfs/dbraw/zinc/30/84/59/983308459.db2.gz VRTVNXWRMQADIS-UHFFFAOYSA-N -1 1 230.275 1.474 20 0 BDADMM Oc1cncc([N-]c2nonc2C2CC2)c1 ZINC001201633928 983361187 /nfs/dbraw/zinc/36/11/87/983361187.db2.gz MHYYYZLBLZJEOW-UHFFFAOYSA-N -1 1 218.216 1.791 20 0 BDADMM CC(C)(O)CNc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001252350176 983744635 /nfs/dbraw/zinc/74/46/35/983744635.db2.gz MBMRSEHZJHGWLP-UHFFFAOYSA-N -1 1 244.276 1.052 20 0 BDADMM Cc1ccc(-c2noc(-c3cn[n-]n3)n2)cc1 ZINC001212799127 984165419 /nfs/dbraw/zinc/16/54/19/984165419.db2.gz KGSJIDHNURYMQY-UHFFFAOYSA-N -1 1 227.227 1.830 20 0 BDADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC001441405272 984477894 /nfs/dbraw/zinc/47/78/94/984477894.db2.gz LKIVYBGWCSKQOF-UWVGGRQHSA-N -1 1 247.294 1.899 20 0 BDADMM O=C([N-]c1ncccc1O)c1nnc(C2CC2)o1 ZINC001447605837 984762581 /nfs/dbraw/zinc/76/25/81/984762581.db2.gz NXDNLLFJLIWAFN-UHFFFAOYSA-N -1 1 246.226 1.300 20 0 BDADMM O=C(Nc1c[nH]nn1)c1cccc(Cl)c1[O-] ZINC001447922480 984795228 /nfs/dbraw/zinc/79/52/28/984795228.db2.gz DMICUZBZASHMOQ-UHFFFAOYSA-N -1 1 238.634 1.416 20 0 BDADMM C[C@@H]1C[C@H](C(=O)[N-]OCCC(F)(F)F)CO1 ZINC000686772438 985213760 /nfs/dbraw/zinc/21/37/60/985213760.db2.gz RRLMBDXJDLJTTC-RQJHMYQMSA-N -1 1 241.209 1.412 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)c1cn[nH]n1 ZINC001457802927 985235074 /nfs/dbraw/zinc/23/50/74/985235074.db2.gz GGETVDARUVDUFK-UHFFFAOYSA-N -1 1 240.169 1.041 20 0 BDADMM CC[C@H](C)[C@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001457818321 985240616 /nfs/dbraw/zinc/24/06/16/985240616.db2.gz AJNJKIAMRYSRET-BQBZGAKWSA-N -1 1 211.265 1.736 20 0 BDADMM C[C@H]1CN(CCc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599928450 985254591 /nfs/dbraw/zinc/25/45/91/985254591.db2.gz MPUSKMWCVXQQDI-AAEUAGOBSA-N -1 1 249.310 1.403 20 0 BDADMM CSc1ncc(C(=O)NCC(C)C)c(=O)[n-]1 ZINC001463597104 986561455 /nfs/dbraw/zinc/56/14/55/986561455.db2.gz RQSMKMAPUSZKFI-UHFFFAOYSA-N -1 1 241.316 1.290 20 0 BDADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001465873991 986749072 /nfs/dbraw/zinc/74/90/72/986749072.db2.gz PIBCVTIXKDOGFR-UHFFFAOYSA-N -1 1 229.239 1.743 20 0 BDADMM Nc1cc(C(=O)Nc2c[n-][nH]c2=O)ccc1F ZINC001580434001 986850467 /nfs/dbraw/zinc/85/04/67/986850467.db2.gz BTYANXMIYXSBEB-UHFFFAOYSA-N -1 1 236.206 1.089 20 0 BDADMM CC1(F)CN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001467700467 986863592 /nfs/dbraw/zinc/86/35/92/986863592.db2.gz OVMUWNVREPSWTK-UHFFFAOYSA-N -1 1 227.210 1.715 20 0 BDADMM Cc1nocc1NC(=O)c1cncc([O-])c1 ZINC001469684073 986994214 /nfs/dbraw/zinc/99/42/14/986994214.db2.gz XENBNPRBSPNQBG-UHFFFAOYSA-N -1 1 219.200 1.336 20 0 BDADMM C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001589488337 987053699 /nfs/dbraw/zinc/05/36/99/987053699.db2.gz WUGBSUIGIDAMGZ-RKDXNWHRSA-N -1 1 229.276 1.036 20 0 BDADMM O=C(Nc1ccc[n+]([O-])c1)c1ccc([O-])c(F)c1 ZINC001470548761 987056965 /nfs/dbraw/zinc/05/69/65/987056965.db2.gz VASVRUOESWHKIT-UHFFFAOYSA-N -1 1 248.213 1.417 20 0 BDADMM CC(C)OC1CN(C(=O)c2ccc([O-])cn2)C1 ZINC001470711790 987061931 /nfs/dbraw/zinc/06/19/31/987061931.db2.gz SSCFCFCXAREOER-UHFFFAOYSA-N -1 1 236.271 1.037 20 0 BDADMM NC(=S)n1[n-]c(C2CC(F)(F)C2)cc1=O ZINC001245922980 987167658 /nfs/dbraw/zinc/16/76/58/987167658.db2.gz CHYZRNJHRZKNDW-UHFFFAOYSA-N -1 1 233.243 1.814 20 0 BDADMM Cc1cc(=O)n(-c2ccc3c(c2)OCCO3)[n-]1 ZINC001245928375 987190788 /nfs/dbraw/zinc/19/07/88/987190788.db2.gz XLWYSHOATSVBLW-UHFFFAOYSA-N -1 1 232.239 1.658 20 0 BDADMM CC[C@@H](O)Cn1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245937185 987203790 /nfs/dbraw/zinc/20/37/90/987203790.db2.gz MOIZONCKPAWVQE-LLVKDONJSA-N -1 1 247.298 1.609 20 0 BDADMM CC(=O)c1cc(-c2nnc([C@@H]3C[C@@H]3C)o2)[nH]n1 ZINC001256617326 987245321 /nfs/dbraw/zinc/24/53/21/987245321.db2.gz NBRMWPYGKLZEJQ-CAHLUQPWSA-N -1 1 232.243 1.786 20 0 BDADMM CC(=O)c1cc(-c2nnc([C@@H]3C[C@@H]3C)o2)n[n-]1 ZINC001256617326 987245334 /nfs/dbraw/zinc/24/53/34/987245334.db2.gz NBRMWPYGKLZEJQ-CAHLUQPWSA-N -1 1 232.243 1.786 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(F)c1 ZINC001472569336 987245912 /nfs/dbraw/zinc/24/59/12/987245912.db2.gz CUGDPNBMBRVBOQ-UHFFFAOYSA-N -1 1 221.191 1.507 20 0 BDADMM Cc1ncncc1NC(=O)c1ccc([O-])c(F)c1 ZINC001472628622 987260574 /nfs/dbraw/zinc/26/05/74/987260574.db2.gz NRBMCVMWBMJHEY-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM CCc1cc(CNc2cc(C(=O)[O-])ncn2)n[nH]1 ZINC001597478161 987957083 /nfs/dbraw/zinc/95/70/83/987957083.db2.gz DMIVENYYQKIBHP-UHFFFAOYSA-N -1 1 247.258 1.072 20 0 BDADMM CCc1cnc(CN[C@H](CC(=O)[O-])C2CC2)o1 ZINC001597631200 988595681 /nfs/dbraw/zinc/59/56/81/988595681.db2.gz PTZCYKJHXMCLHP-SNVBAGLBSA-N -1 1 238.287 1.580 20 0 BDADMM O=c1c2c([n-]n1Cc1ccccn1)CCCC2 ZINC001118963894 988745628 /nfs/dbraw/zinc/74/56/28/988745628.db2.gz ZKCVPAYQJBZPGO-LLVKDONJSA-N -1 1 229.283 1.970 20 0 BDADMM CC1=C(C)C[C@@H](C(=O)OCc2nn[n-]n2)CC1 ZINC001515655069 989094193 /nfs/dbraw/zinc/09/41/93/989094193.db2.gz YGDXTMHVWMHJNN-VIFPVBQESA-N -1 1 236.275 1.379 20 0 BDADMM O=C(C[C@@H]1CCCC1(F)F)OCc1nn[n-]n1 ZINC001515828568 989121135 /nfs/dbraw/zinc/12/11/35/989121135.db2.gz VHCAGZAGQQBDMG-LURJTMIESA-N -1 1 246.217 1.068 20 0 BDADMM CCc1ncc(C[N@@H+](CCC(=O)[O-])C2CC2)cn1 ZINC001119537979 989143570 /nfs/dbraw/zinc/14/35/70/989143570.db2.gz XCDKGKVREJIEDX-UHFFFAOYSA-N -1 1 249.314 1.478 20 0 BDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc2n(n1)CCC2 ZINC001119559968 989164937 /nfs/dbraw/zinc/16/49/37/989164937.db2.gz OWLBUJJISYPOTC-SKDRFNHKSA-N -1 1 249.314 1.124 20 0 BDADMM CCCCN(Cc1cc(C(=O)[O-])n[nH]1)C1CC1 ZINC001119607152 989232965 /nfs/dbraw/zinc/23/29/65/989232965.db2.gz UGDQIKPILPMDFS-UHFFFAOYSA-N -1 1 237.303 1.872 20 0 BDADMM C[C@@H]1CN(Cc2cocn2)C[C@H]1CC(=O)[O-] ZINC001599867255 989288043 /nfs/dbraw/zinc/28/80/43/989288043.db2.gz GIBTVKWSXDWLMJ-RKDXNWHRSA-N -1 1 224.260 1.217 20 0 BDADMM O=C1COc2cc([N-]c3nnco3)ccc2N1 ZINC001249616158 989326397 /nfs/dbraw/zinc/32/63/97/989326397.db2.gz XTOKVWAMODHVLZ-UHFFFAOYSA-N -1 1 232.199 1.144 20 0 BDADMM CC(C)CN(CCC(=O)[O-])Cc1ncccn1 ZINC001326560952 989609318 /nfs/dbraw/zinc/60/93/18/989609318.db2.gz DZLLONKHKQHVEY-UHFFFAOYSA-N -1 1 237.303 1.409 20 0 BDADMM CC(C)(C)CCNC(=O)c1cnncc1O ZINC001120578947 989746563 /nfs/dbraw/zinc/74/65/63/989746563.db2.gz JUXFBTZSAHIUGP-UHFFFAOYSA-N -1 1 223.276 1.348 20 0 BDADMM CC(C)(CCNC(CF)CF)C(=O)[O-] ZINC001590684559 990395354 /nfs/dbraw/zinc/39/53/54/990395354.db2.gz KLDZTCWXKLSMKU-UHFFFAOYSA-N -1 1 209.236 1.385 20 0 BDADMM O=C([N-]c1cnoc1)c1ncc(Cl)cn1 ZINC001536804550 990491194 /nfs/dbraw/zinc/49/11/94/990491194.db2.gz IRJVFTVVEBKSOG-UHFFFAOYSA-N -1 1 224.607 1.370 20 0 BDADMM CCC[C@H](C(=O)OCc1nn[n-]n1)C(C)C ZINC001123019125 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/nfs/dbraw/zinc/25/47/18/488254718.db2.gz QZXDRQCRAHLZOJ-MRVPVSSYSA-N -1 1 239.287 1.504 20 0 BDADMM O=S(=O)(CC1CC1)[N-][C@H]1CCCC1(F)F ZINC000672431059 488254722 /nfs/dbraw/zinc/25/47/22/488254722.db2.gz QZXDRQCRAHLZOJ-QMMMGPOBSA-N -1 1 239.287 1.504 20 0 BDADMM CC(C)SCCN1CCOC[C@@H]1CC(=O)[O-] ZINC000380862106 344444922 /nfs/dbraw/zinc/44/49/22/344444922.db2.gz OLSUBLXGKDSQLK-JTQLQIEISA-N -1 1 247.360 1.304 20 0 BDADMM CCC[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000672666961 488263237 /nfs/dbraw/zinc/26/32/37/488263237.db2.gz CCOBLJLSKSJGJF-SECBINFHSA-N -1 1 235.283 1.880 20 0 BDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000577603795 344576511 /nfs/dbraw/zinc/57/65/11/344576511.db2.gz YTVFORWTXDWFFP-IUCAKERBSA-N -1 1 249.318 1.131 20 0 BDADMM Cc1cccc(F)c1NC(=O)CCc1nn[n-]n1 ZINC000632310751 344924063 /nfs/dbraw/zinc/92/40/63/344924063.db2.gz NDANMBJSZBDPNE-UHFFFAOYSA-N -1 1 249.249 1.219 20 0 BDADMM O=C([N-][C@@H]1CCC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000238551589 345075836 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239.246 1.895 20 0 BDADMM Cc1cnc(C(=O)NCc2ccccn2)c([O-])c1 ZINC000358734634 187553563 /nfs/dbraw/zinc/55/35/63/187553563.db2.gz CAYBSFBCENKLAO-UHFFFAOYSA-N -1 1 243.266 1.421 20 0 BDADMM CC(C)=CCCNC(=O)c1cncc([O-])c1 ZINC000276787376 187578205 /nfs/dbraw/zinc/57/82/05/187578205.db2.gz SISSFFZAEUBXTJ-UHFFFAOYSA-N -1 1 220.272 1.873 20 0 BDADMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnoc2)C1 ZINC000607881098 352396180 /nfs/dbraw/zinc/39/61/80/352396180.db2.gz PMZXIIVKHHWUEE-MRVPVSSYSA-N -1 1 245.304 1.063 20 0 BDADMM CCCC[C@@H](CC)C(=O)NCc1nn[n-]n1 ZINC000044927051 352499745 /nfs/dbraw/zinc/49/97/45/352499745.db2.gz DDZQEGKISWOEKE-MRVPVSSYSA-N -1 1 225.296 1.032 20 0 BDADMM CC(C)[C@H]1CCN1C(=O)c1cncc([O-])c1 ZINC000334251726 352887735 /nfs/dbraw/zinc/88/77/35/352887735.db2.gz IQDAAGLLCNXCNW-LLVKDONJSA-N -1 1 220.272 1.658 20 0 BDADMM CC[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC000334327868 352964014 /nfs/dbraw/zinc/96/40/14/352964014.db2.gz HQZOIONZSAXRJT-KYZUINATSA-N -1 1 222.292 1.503 20 0 BDADMM 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NC(=O)c1csc(=N[C@@H]2CCC[C@@H]2F)[n-]1 ZINC000335930329 134010267 /nfs/dbraw/zinc/01/02/67/134010267.db2.gz NJPAQJPAPBGJSE-NTSWFWBYSA-N -1 1 229.280 1.751 20 0 BDADMM O=C(N[C@H]1C[C@@H]1C(F)F)c1c([O-])cccc1F ZINC000335776930 355402184 /nfs/dbraw/zinc/40/21/84/355402184.db2.gz ZFVZNQINCUQKMJ-FSPLSTOPSA-N -1 1 245.200 1.915 20 0 BDADMM COC(=O)c1c[n-]c(SCc2cn[nH]c2)n1 ZINC000349818480 355469512 /nfs/dbraw/zinc/46/95/12/355469512.db2.gz JOUDBSIRNNGVDQ-UHFFFAOYSA-N -1 1 238.272 1.212 20 0 BDADMM CSc1n[nH]c(NC(=O)[C@H]2[C@H](C)C2(F)F)n1 ZINC000335870148 355636297 /nfs/dbraw/zinc/63/62/97/355636297.db2.gz AKXSSKIMADBQDQ-IUYQGCFVSA-N -1 1 248.258 1.366 20 0 BDADMM CCCC[C@H](C)[N@@H+](C)Cc1nc(=O)n(C)[n-]1 ZINC000352410442 356341655 /nfs/dbraw/zinc/34/16/55/356341655.db2.gz QRGRKBKXZREGCA-VIFPVBQESA-N -1 1 226.324 1.119 20 0 BDADMM CC1CC([N-]S(=O)(=O)c2sccc2F)C1 ZINC000336128391 134093956 /nfs/dbraw/zinc/09/39/56/134093956.db2.gz CAFZWOOVAVCAOE-UHFFFAOYSA-N -1 1 249.332 1.964 20 0 BDADMM C[C@H]1C[C@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000352283423 134132110 /nfs/dbraw/zinc/13/21/10/134132110.db2.gz FBKJINYQXXPOTQ-WHFBIAKZSA-N -1 1 248.208 1.808 20 0 BDADMM CCC[C@H](CC(C)C)C(=O)Nc1nnn[n-]1 ZINC000449930687 202056449 /nfs/dbraw/zinc/05/64/49/202056449.db2.gz WOXYIOAUQFRMSR-MRVPVSSYSA-N -1 1 225.296 1.601 20 0 BDADMM CCC[C@H](CC(C)C)C(=O)Nc1nn[n-]n1 ZINC000449930687 202056452 /nfs/dbraw/zinc/05/64/52/202056452.db2.gz WOXYIOAUQFRMSR-MRVPVSSYSA-N -1 1 225.296 1.601 20 0 BDADMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1CC)c1nn[n-]n1 ZINC000450121959 202082621 /nfs/dbraw/zinc/08/26/21/202082621.db2.gz LUACKCVMBDDXCW-HLTSFMKQSA-N -1 1 237.307 1.203 20 0 BDADMM CC[C@H](COC)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450343073 202134948 /nfs/dbraw/zinc/13/49/48/202134948.db2.gz CBWMTZGGBYTKGX-SECBINFHSA-N -1 1 242.344 1.913 20 0 BDADMM CC[C@H](CO)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450429047 202163487 /nfs/dbraw/zinc/16/34/87/202163487.db2.gz YHMSSHKGSVHPDV-MRVPVSSYSA-N -1 1 228.317 1.259 20 0 BDADMM CO[C@H](C)c1nc(=NC2CC(C)(F)C2)s[n-]1 ZINC000450585237 202204297 /nfs/dbraw/zinc/20/42/97/202204297.db2.gz YVDHHVPJYCEWAB-AFKSGGFBSA-N -1 1 245.323 1.970 20 0 BDADMM CCc1nc(=N[C@@H]2CCc3nc[nH]c3C2)s[n-]1 ZINC000377330484 357230517 /nfs/dbraw/zinc/23/05/17/357230517.db2.gz MWXISPCCQGHAIZ-SSDOTTSWSA-N -1 1 249.343 1.215 20 0 BDADMM O=C([O-])[C@H]1COCCN1C[C@@H]1CCCC1(F)F ZINC000394673937 357376022 /nfs/dbraw/zinc/37/60/22/357376022.db2.gz UOQJPSUAWDOTNH-DTWKUNHWSA-N -1 1 249.257 1.207 20 0 BDADMM CC1(CC(=O)NC2(c3nn[n-]n3)CC2)CCCC1 ZINC000583720753 357909149 /nfs/dbraw/zinc/90/91/49/357909149.db2.gz XAVXSADOLZQFOM-UHFFFAOYSA-N -1 1 249.318 1.275 20 0 BDADMM O=C([N-]c1cnoc1)c1noc2c1CCCC2 ZINC000623940145 357910616 /nfs/dbraw/zinc/91/06/16/357910616.db2.gz SPSQGJVLMOUFNN-UHFFFAOYSA-N -1 1 233.227 1.794 20 0 BDADMM CC[C@H]1COCCN1Cc1ccccc1C(=O)[O-] ZINC000036327095 358019955 /nfs/dbraw/zinc/01/99/55/358019955.db2.gz TZGDEKPUXYNUMG-LBPRGKRZSA-N -1 1 249.310 1.996 20 0 BDADMM COC[C@@](C)(NCc1ccc(C)s1)C(=O)[O-] ZINC000053197711 358117453 /nfs/dbraw/zinc/11/74/53/358117453.db2.gz IERGVWUSVDOEMI-LLVKDONJSA-N -1 1 243.328 1.636 20 0 BDADMM O=C([O-])[C@@H]1CN(CCCc2ccccc2)CCO1 ZINC000044471299 358388124 /nfs/dbraw/zinc/38/81/24/358388124.db2.gz GPJHBLNSGQAQJJ-ZDUSSCGKSA-N -1 1 249.310 1.405 20 0 BDADMM Cc1ccc(C(=O)Nc2nnn[n-]2)c(C)c1 ZINC000072678352 359088521 /nfs/dbraw/zinc/08/85/21/359088521.db2.gz TVUSSOMLVOSBSV-UHFFFAOYSA-N -1 1 217.232 1.069 20 0 BDADMM Cc1ccc(C(=O)Nc2nn[n-]n2)c(C)c1 ZINC000072678352 359088524 /nfs/dbraw/zinc/08/85/24/359088524.db2.gz TVUSSOMLVOSBSV-UHFFFAOYSA-N -1 1 217.232 1.069 20 0 BDADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000628514477 359890359 /nfs/dbraw/zinc/89/03/59/359890359.db2.gz RVCKXSLCAYSONK-DTORHVGOSA-N -1 1 221.231 1.623 20 0 BDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ncccc1[O-] ZINC000578601115 366604215 /nfs/dbraw/zinc/60/42/15/366604215.db2.gz SJUCRCYQLSPOHA-KXUCPTDWSA-N -1 1 232.283 1.706 20 0 BDADMM COC[C@@H](OC)C(=O)Nc1c([O-])cccc1F ZINC000613025625 360293404 /nfs/dbraw/zinc/29/34/04/360293404.db2.gz AXISIUGVGAGWAJ-SECBINFHSA-N -1 1 243.234 1.131 20 0 BDADMM COCCCC(=O)Nc1cccc(F)c1[O-] ZINC000628961125 360774562 /nfs/dbraw/zinc/77/45/62/360774562.db2.gz SCEZCRRXNJEURP-UHFFFAOYSA-N -1 1 227.235 1.896 20 0 BDADMM O=C(NC[C@H]1C[C@@H](O)C1)c1ccc([O-])c(F)c1 ZINC000629073788 360866847 /nfs/dbraw/zinc/86/68/47/360866847.db2.gz COZXMQJIXNRAII-OTSSQURYSA-N -1 1 239.246 1.032 20 0 BDADMM C[C@H](C(=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC000629500898 361101392 /nfs/dbraw/zinc/10/13/92/361101392.db2.gz HDYQLRBQCQNMKM-MRVPVSSYSA-N -1 1 221.256 1.223 20 0 BDADMM O=C(Nc1cnns1)C(=O)c1ccc([O-])cc1 ZINC000436563516 201331871 /nfs/dbraw/zinc/33/18/71/201331871.db2.gz NHZMDPUKWJALAB-UHFFFAOYSA-N -1 1 249.251 1.065 20 0 BDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1cncc([O-])c1 ZINC000310502949 491161764 /nfs/dbraw/zinc/16/17/64/491161764.db2.gz RSJAFEKYZGVLGG-MRVPVSSYSA-N -1 1 242.225 1.705 20 0 BDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)c1ccc([O-])cc1 ZINC000436633615 201335128 /nfs/dbraw/zinc/33/51/28/201335128.db2.gz ILSVTHZFHLIUMA-ZSBIGDGJSA-N -1 1 245.278 1.490 20 0 BDADMM O=C(c1cncc([O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000615030291 364397205 /nfs/dbraw/zinc/39/72/05/364397205.db2.gz OZGHDMVONVZLOZ-MRVPVSSYSA-N -1 1 246.188 1.564 20 0 BDADMM Cc1cnc(C(=O)N[C@H](C)c2ncc[nH]2)c([O-])c1 ZINC000615157555 364547173 /nfs/dbraw/zinc/54/71/73/364547173.db2.gz DFZHCJZLZHSBKO-MRVPVSSYSA-N -1 1 246.270 1.310 20 0 BDADMM CC[C@](C)(OC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615220682 364639304 /nfs/dbraw/zinc/63/93/04/364639304.db2.gz HCPYDHJHHYZNMN-JTQLQIEISA-N -1 1 227.264 1.177 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)C1CCC1 ZINC000615228583 364646818 /nfs/dbraw/zinc/64/68/18/364646818.db2.gz MDNMSKRCGHQFLA-LURJTMIESA-N -1 1 223.276 1.798 20 0 BDADMM Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])n1 ZINC000300001466 364840552 /nfs/dbraw/zinc/84/05/52/364840552.db2.gz QELWTDBIAVBIFD-MVWJERBFSA-N -1 1 249.314 1.105 20 0 BDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000575106225 365200960 /nfs/dbraw/zinc/20/09/60/365200960.db2.gz BRANSSOTQUGRNM-RKDXNWHRSA-N -1 1 249.318 1.131 20 0 BDADMM CC[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000183529128 367028359 /nfs/dbraw/zinc/02/83/59/367028359.db2.gz WMFCAYXSBSXPEB-MRVPVSSYSA-N -1 1 232.287 1.828 20 0 BDADMM COC[C@](C)(NCc1ccsc1)C(=O)[O-] ZINC000063151683 368579738 /nfs/dbraw/zinc/57/97/38/368579738.db2.gz IKEYTMIKSJORNR-JTQLQIEISA-N -1 1 229.301 1.327 20 0 BDADMM CC[C@H](c1ccccc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805406 368884757 /nfs/dbraw/zinc/88/47/57/368884757.db2.gz KCMNIKIPXYCVRL-OLZOCXBDSA-N -1 1 249.310 1.923 20 0 BDADMM Cc1ccccc1[C@@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805616 368885038 /nfs/dbraw/zinc/88/50/38/368885038.db2.gz NEPPFUVXIVIINL-YPMHNXCESA-N -1 1 249.310 1.841 20 0 BDADMM C[C@H](c1ccccc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805227 368885457 /nfs/dbraw/zinc/88/54/57/368885457.db2.gz OTYVAIKNUSVHAZ-PWSUYJOCSA-N -1 1 235.283 1.533 20 0 BDADMM CC(C)c1cccc(CC(=O)Nc2nnn[n-]2)c1 ZINC000457611317 203080724 /nfs/dbraw/zinc/08/07/24/203080724.db2.gz YWXMGENNVXSUNC-UHFFFAOYSA-N -1 1 245.286 1.504 20 0 BDADMM CC(C)c1cccc(CC(=O)Nc2nn[n-]n2)c1 ZINC000457611317 203080725 /nfs/dbraw/zinc/08/07/25/203080725.db2.gz YWXMGENNVXSUNC-UHFFFAOYSA-N -1 1 245.286 1.504 20 0 BDADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CC1(F)F ZINC000618596883 369180584 /nfs/dbraw/zinc/18/05/84/369180584.db2.gz ZQOVDRUIYNFJPQ-JTQLQIEISA-N -1 1 242.225 1.562 20 0 BDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cncc([O-])c1 ZINC000618499468 369159830 /nfs/dbraw/zinc/15/98/30/369159830.db2.gz NSTHIQUEGCZWSL-NRUUGDAUSA-N -1 1 246.310 1.953 20 0 BDADMM COCCOc1ccccc1[N-]S(C)(=O)=O ZINC000619533526 369464616 /nfs/dbraw/zinc/46/46/16/369464616.db2.gz XWRWQWYCYUWDRF-UHFFFAOYSA-N -1 1 245.300 1.083 20 0 BDADMM C[C@@H](O)C1(NC(=O)c2c([O-])cccc2F)CC1 ZINC000620061313 369693430 /nfs/dbraw/zinc/69/34/30/369693430.db2.gz JTAMHDLYHRKQJY-SSDOTTSWSA-N -1 1 239.246 1.175 20 0 BDADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nnn[n-]2)C1(C)C ZINC000076963612 370370966 /nfs/dbraw/zinc/37/09/66/370370966.db2.gz FOBLKODIXRUAOJ-HTQZYQBOSA-N -1 1 235.291 1.377 20 0 BDADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nn[n-]n2)C1(C)C ZINC000076963612 370370970 /nfs/dbraw/zinc/37/09/70/370370970.db2.gz FOBLKODIXRUAOJ-HTQZYQBOSA-N -1 1 235.291 1.377 20 0 BDADMM Cc1cnc(S[C@H]2CCOC2)[n-]c1=O ZINC000568270804 326338388 /nfs/dbraw/zinc/33/83/88/326338388.db2.gz SJOJKIZOZKIFMF-ZETCQYMHSA-N -1 1 212.274 1.372 20 0 BDADMM CCCC[C@H](C(=O)Nc1nnn[n-]1)C(C)C ZINC000621615653 370403143 /nfs/dbraw/zinc/40/31/43/370403143.db2.gz TZJMHNMLGBQFJN-QMMMGPOBSA-N -1 1 225.296 1.601 20 0 BDADMM CCCC[C@H](C(=O)Nc1nn[n-]n1)C(C)C ZINC000621615653 370403146 /nfs/dbraw/zinc/40/31/46/370403146.db2.gz TZJMHNMLGBQFJN-QMMMGPOBSA-N -1 1 225.296 1.601 20 0 BDADMM COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000003267746 371935711 /nfs/dbraw/zinc/93/57/11/371935711.db2.gz MOSKQYLFMDZOAT-UHFFFAOYSA-N -1 1 236.202 1.504 20 0 BDADMM CC1(C)C[C@@H]([N-]C(=O)C(F)(F)F)CCO1 ZINC000228091121 371988733 /nfs/dbraw/zinc/98/87/33/371988733.db2.gz YWQUUBDIWCIMSD-LURJTMIESA-N -1 1 225.210 1.623 20 0 BDADMM CO[C@H](C)c1nc(=NCC(C)(C)F)s[n-]1 ZINC000631406469 372339961 /nfs/dbraw/zinc/33/99/61/372339961.db2.gz LCSQHKFICWMRGE-ZCFIWIBFSA-N -1 1 233.312 1.827 20 0 BDADMM C[C@H](CC1CCC1)Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000631517992 372405733 /nfs/dbraw/zinc/40/57/33/372405733.db2.gz JENDBXWJZODENG-SSDOTTSWSA-N -1 1 247.302 1.423 20 0 BDADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000631644153 372477995 /nfs/dbraw/zinc/47/79/95/372477995.db2.gz LQIIEQZEMIGCOX-SSDOTTSWSA-N -1 1 248.373 1.918 20 0 BDADMM CCCCNC(=O)CN[C@@](C)(CCC)C(=O)[O-] ZINC000049281010 168846068 /nfs/dbraw/zinc/84/60/68/168846068.db2.gz AAKCPWZFPBUNFV-LBPRGKRZSA-N -1 1 244.335 1.136 20 0 BDADMM O=C(NCC1(C(F)F)CC1)c1cncc([O-])c1 ZINC000355482757 182127334 /nfs/dbraw/zinc/12/73/34/182127334.db2.gz XTABYFJEUJTRTD-UHFFFAOYSA-N -1 1 242.225 1.562 20 0 BDADMM O=C(NCCCCO)c1ccc(Cl)cc1[O-] ZINC000193290592 182165295 /nfs/dbraw/zinc/16/52/95/182165295.db2.gz MZUIWNGCZUKRSZ-UHFFFAOYSA-N -1 1 243.690 1.548 20 0 BDADMM O=C([N-]CCOCc1ccccc1)C(F)(F)F ZINC000267053916 182198135 /nfs/dbraw/zinc/19/81/35/182198135.db2.gz XVLYYHGWXNMXNF-UHFFFAOYSA-N -1 1 247.216 1.882 20 0 BDADMM O=C(NCCc1ccco1)c1cncc([O-])c1 ZINC000111739357 182206789 /nfs/dbraw/zinc/20/67/89/182206789.db2.gz PMMLGOXRQJZWHR-UHFFFAOYSA-N -1 1 232.239 1.353 20 0 BDADMM O=C([N-]Cc1nccn1C(F)F)C(F)F ZINC000278527198 182273911 /nfs/dbraw/zinc/27/39/11/182273911.db2.gz ZDKFFMIKVKQIKZ-UHFFFAOYSA-N -1 1 225.145 1.160 20 0 BDADMM O=C([N-]O[C@@H]1CCCCO1)C1=COCCC1 ZINC000107582102 182284457 /nfs/dbraw/zinc/28/44/57/182284457.db2.gz ABHLGZPYWPWRHY-SNVBAGLBSA-N -1 1 227.260 1.255 20 0 BDADMM O=C([N-][C@@H]1C[C@@H]2OCCC[C@H]12)C(F)(F)F ZINC000373662956 182317821 /nfs/dbraw/zinc/31/78/21/182317821.db2.gz MRBFUBJOVCITLW-QYNIQEEDSA-N -1 1 223.194 1.232 20 0 BDADMM CCC[C@@H](C)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279271996 169347724 /nfs/dbraw/zinc/34/77/24/169347724.db2.gz VMJUKSTWGCWVAR-IUJQDPHBSA-N -1 1 246.314 1.717 20 0 BDADMM CCN(C(=O)c1cncc([O-])c1)C(C)C ZINC000082650864 169661047 /nfs/dbraw/zinc/66/10/47/169661047.db2.gz BPTWLQUYGBUOBL-UHFFFAOYSA-N -1 1 208.261 1.658 20 0 BDADMM CC[C@H](O)[C@H](CC)NC(=O)c1cncc([O-])c1 ZINC000313083679 383854633 /nfs/dbraw/zinc/85/46/33/383854633.db2.gz LMHBWPOWUSTFSS-QWRGUYRKSA-N -1 1 238.287 1.067 20 0 BDADMM CC[C@@H](NC(=O)c1cncc([O-])c1)[C@@H](O)CC ZINC000313083678 383854879 /nfs/dbraw/zinc/85/48/79/383854879.db2.gz LMHBWPOWUSTFSS-MNOVXSKESA-N -1 1 238.287 1.067 20 0 BDADMM CCOCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000036230295 383889467 /nfs/dbraw/zinc/88/94/67/383889467.db2.gz WHACBSMVPJNPOM-UHFFFAOYSA-N -1 1 243.690 1.812 20 0 BDADMM O=S(=O)([N-]c1cc(Cl)ccc1O)C1CC1 ZINC000070909220 383957438 /nfs/dbraw/zinc/95/74/38/383957438.db2.gz RLIJAWZYQNLHOD-UHFFFAOYSA-N -1 1 247.703 1.950 20 0 BDADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCO1 ZINC000037760717 384010134 /nfs/dbraw/zinc/01/01/34/384010134.db2.gz CLRBUKRCNSTKFY-WCBMZHEXSA-N -1 1 236.271 1.085 20 0 BDADMM CC(F)(F)CNC(=O)c1ccc([O-])c(F)c1 ZINC000647259323 384118676 /nfs/dbraw/zinc/11/86/76/384118676.db2.gz RHJPFUSZJARGMJ-UHFFFAOYSA-N -1 1 233.189 1.916 20 0 BDADMM CC(C)C1(NC(=O)c2cncc([O-])c2)CC1 ZINC000293991978 384174103 /nfs/dbraw/zinc/17/41/03/384174103.db2.gz SPCGGRUTIKTRBT-UHFFFAOYSA-N -1 1 220.272 1.706 20 0 BDADMM Cc1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000132182969 384219094 /nfs/dbraw/zinc/21/90/94/384219094.db2.gz PUQBLWCHXGECTC-QWRGUYRKSA-N -1 1 236.315 1.705 20 0 BDADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1CO ZINC000133241712 384279435 /nfs/dbraw/zinc/27/94/35/384279435.db2.gz PQOHRXPHCFGTOR-QMMMGPOBSA-N -1 1 239.246 1.128 20 0 BDADMM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)CO1 ZINC000335649587 384427348 /nfs/dbraw/zinc/42/73/48/384427348.db2.gz NZOGDHZADBJOCZ-SFYZADRCSA-N -1 1 239.246 1.439 20 0 BDADMM 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C[C@@H](c1ccncc1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825644426 587328786 /nfs/dbraw/zinc/32/87/86/587328786.db2.gz DQGTYHYFORBVAE-JQWIXIFHSA-N -1 1 249.314 1.827 20 0 BDADMM C[C@@H](c1ccncc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825644426 587328788 /nfs/dbraw/zinc/32/87/88/587328788.db2.gz DQGTYHYFORBVAE-JQWIXIFHSA-N -1 1 249.314 1.827 20 0 BDADMM CCCC[C@H](CNC(=O)[O-])NCc1cc[nH]n1 ZINC000826814780 587363333 /nfs/dbraw/zinc/36/33/33/587363333.db2.gz NMUZIUISKJYQJI-SECBINFHSA-N -1 1 240.307 1.326 20 0 BDADMM CN(C(=O)[O-])[C@@H]1CCN(Cc2ccccn2)C1 ZINC000827891011 587408009 /nfs/dbraw/zinc/40/80/09/587408009.db2.gz YYCGLWQAJXODQV-LLVKDONJSA-N -1 1 235.287 1.266 20 0 BDADMM O=C([N-]OCCCC(F)(F)F)[C@H]1CCOC1 ZINC000828336155 587436210 /nfs/dbraw/zinc/43/62/10/587436210.db2.gz NUTIBTFIJHVJDS-ZETCQYMHSA-N -1 1 241.209 1.413 20 0 BDADMM CC[C@@](C)(CC(=O)[O-])NCc1nnc(C)o1 ZINC000828671989 587456546 /nfs/dbraw/zinc/45/65/46/587456546.db2.gz JVMMRLGUBXVDPS-JTQLQIEISA-N -1 1 227.264 1.111 20 0 BDADMM CC[C@H]1C[C@H](C)CN1Cn1cnc(C(=O)[O-])n1 ZINC000829074770 587482127 /nfs/dbraw/zinc/48/21/27/587482127.db2.gz IWSZUBNIFUHGEN-IUCAKERBSA-N -1 1 238.291 1.054 20 0 BDADMM Cc1ccc(CN(C)CCNC(=O)[O-])s1 ZINC000830309146 587545183 /nfs/dbraw/zinc/54/51/83/587545183.db2.gz XYDJLOJANNROCX-UHFFFAOYSA-N -1 1 228.317 1.756 20 0 BDADMM CCON(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000831491787 587613926 /nfs/dbraw/zinc/61/39/26/587613926.db2.gz QQVWCJGNQBGSMK-UHFFFAOYSA-N -1 1 239.271 1.814 20 0 BDADMM O=C([O-])N1CC[C@@H](N[C@@H]2COc3ccccc32)C1 ZINC000831953382 587638563 /nfs/dbraw/zinc/63/85/63/587638563.db2.gz ISPPENAPVVUXIE-MWLCHTKSSA-N -1 1 248.282 1.462 20 0 BDADMM C[C@@H](CC(=O)[N-]OCC(F)F)[C@@H]1CCCO1 ZINC000832187217 587649076 /nfs/dbraw/zinc/64/90/76/587649076.db2.gz UDJPQUVEVJLFJM-YUMQZZPRSA-N -1 1 237.246 1.505 20 0 BDADMM CN(C)C1(C(=O)[N-]OC2CCCCC2)CC1 ZINC000832552757 587666107 /nfs/dbraw/zinc/66/61/07/587666107.db2.gz FTDQXKKVEMRHKY-UHFFFAOYSA-N -1 1 226.320 1.461 20 0 BDADMM O=C([O-])NC[C@@H]1CCCN1Cc1ccccn1 ZINC000832572847 587667384 /nfs/dbraw/zinc/66/73/84/587667384.db2.gz ILBNTYYNEBEUNE-NSHDSACASA-N -1 1 235.287 1.314 20 0 BDADMM O=C([O-])NC[C@H]1CCCN1Cc1ccncc1 ZINC000832573466 587667429 /nfs/dbraw/zinc/66/74/29/587667429.db2.gz OSEWCIAPOPGGAP-LLVKDONJSA-N -1 1 235.287 1.314 20 0 BDADMM Cc1cnc(CN(C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000832985803 587695332 /nfs/dbraw/zinc/69/53/32/587695332.db2.gz OQABUOXQBCSYHR-QMMMGPOBSA-N -1 1 238.287 1.668 20 0 BDADMM Cc1nnc([C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000833017534 587697194 /nfs/dbraw/zinc/69/71/94/587697194.db2.gz BOHZZQBQKNIMRD-ZKWXMUAHSA-N -1 1 239.275 1.092 20 0 BDADMM O=C([O-])[C@@]1(F)CCN(CCc2ccccn2)C1 ZINC000833174459 587700543 /nfs/dbraw/zinc/70/05/43/587700543.db2.gz GIIYXPLGCPBPHI-GFCCVEGCSA-N -1 1 238.262 1.123 20 0 BDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC000834095305 587745027 /nfs/dbraw/zinc/74/50/27/587745027.db2.gz LKESYHUCSWLBTO-BDAKNGLRSA-N -1 1 216.256 1.173 20 0 BDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC000834096400 587745324 /nfs/dbraw/zinc/74/53/24/587745324.db2.gz WYTXHYBPJOXFFC-OUGZHVTKSA-N -1 1 244.722 1.956 20 0 BDADMM O=C([O-])N[C@H]1CCCN(Cc2ccsc2)C1 ZINC000834181875 587748238 /nfs/dbraw/zinc/74/82/38/587748238.db2.gz KGTIRCGBXKSNMU-JTQLQIEISA-N -1 1 240.328 1.980 20 0 BDADMM O=C([O-])NC[C@H](NCc1nccs1)C1CC1 ZINC000834207734 587748928 /nfs/dbraw/zinc/74/89/28/587748928.db2.gz QSXFQWDWSXBNLM-QMMMGPOBSA-N -1 1 241.316 1.279 20 0 BDADMM CC[C@@H](C(=O)[N-]OCCC1CC1)[C@H](C)O ZINC000842268780 588010130 /nfs/dbraw/zinc/01/01/30/588010130.db2.gz YQWFKCRWDPRXEC-WCBMZHEXSA-N -1 1 215.293 1.241 20 0 BDADMM CCNCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000843169480 588089373 /nfs/dbraw/zinc/08/93/73/588089373.db2.gz LBSVXAVOAWYNQC-UHFFFAOYSA-N -1 1 247.254 1.544 20 0 BDADMM COCC1(CC[N-]C(=O)C(F)(F)F)CC1 ZINC000843962213 588151842 /nfs/dbraw/zinc/15/18/42/588151842.db2.gz RFUMZSPOZLLZLP-UHFFFAOYSA-N -1 1 225.210 1.482 20 0 BDADMM CCCO[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000844082671 588162245 /nfs/dbraw/zinc/16/22/45/588162245.db2.gz NIQHUCSXAWNDCL-VIFPVBQESA-N -1 1 242.319 1.091 20 0 BDADMM CCCO[N-]C(=O)[C@H](F)C(F)(F)F ZINC000844087268 588164947 /nfs/dbraw/zinc/16/49/47/588164947.db2.gz KGUGUFYYZLUAEW-BYPYZUCNSA-N -1 1 203.135 1.345 20 0 BDADMM CC(C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000005712862 588258927 /nfs/dbraw/zinc/25/89/27/588258927.db2.gz GLZPWQYUTNFXFK-UHFFFAOYSA-N -1 1 249.266 1.142 20 0 BDADMM CO[C@H](CC(=O)[N-]OC(C)C)C(F)(F)F ZINC000846238852 588262177 /nfs/dbraw/zinc/26/21/77/588262177.db2.gz STSOUNRLDPEHIK-ZCFIWIBFSA-N -1 1 229.198 1.410 20 0 BDADMM C/C(=C/c1ccco1)C(=O)[N-]OCC(F)F ZINC000847734855 588328403 /nfs/dbraw/zinc/32/84/03/588328403.db2.gz JOICGCBYAZIYNO-ALCCZGGFSA-N -1 1 231.198 1.996 20 0 BDADMM CC(C)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000095199179 599392141 /nfs/dbraw/zinc/39/21/41/599392141.db2.gz KCLIYORHQJCVHM-UHFFFAOYSA-N -1 1 232.291 1.720 20 0 BDADMM CC(C)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000095199179 599392144 /nfs/dbraw/zinc/39/21/44/599392144.db2.gz KCLIYORHQJCVHM-UHFFFAOYSA-N -1 1 232.291 1.720 20 0 BDADMM CC(C)[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000095227855 598855510 /nfs/dbraw/zinc/85/55/10/598855510.db2.gz CTGWGWOYQRGLBF-VIFPVBQESA-N -1 1 246.318 1.966 20 0 BDADMM CC(C)[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000095227855 598855511 /nfs/dbraw/zinc/85/55/11/598855511.db2.gz CTGWGWOYQRGLBF-VIFPVBQESA-N -1 1 246.318 1.966 20 0 BDADMM COC(=O)c1c[n-]c(S[C@H]2CCSC2)n1 ZINC000849892296 588508174 /nfs/dbraw/zinc/50/81/74/588508174.db2.gz OSZBUZNRZBRLKC-LURJTMIESA-N -1 1 244.341 1.794 20 0 BDADMM Cc1cnc(SC[C@H]2CCC(=O)O2)[n-]c1=O ZINC000849903133 588508844 /nfs/dbraw/zinc/50/88/44/588508844.db2.gz KGTBLKSZAJRENE-SSDOTTSWSA-N -1 1 240.284 1.288 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])C1(F)CC1 ZINC000863008250 589251776 /nfs/dbraw/zinc/25/17/76/589251776.db2.gz LDZCNLWCOJRVTK-UHFFFAOYSA-N -1 1 213.183 1.972 20 0 BDADMM CCCOCSc1ncc(C(=O)OC)[n-]1 ZINC000863323271 589279653 /nfs/dbraw/zinc/27/96/53/589279653.db2.gz JKFUFQAKASFMCZ-UHFFFAOYSA-N -1 1 230.289 1.673 20 0 BDADMM CCCOCSc1nc(C(=O)OC)c[n-]1 ZINC000863323271 589279654 /nfs/dbraw/zinc/27/96/54/589279654.db2.gz JKFUFQAKASFMCZ-UHFFFAOYSA-N -1 1 230.289 1.673 20 0 BDADMM CCO[N-]C(=O)Cc1cn2cc(F)ccc2n1 ZINC000864688419 589389931 /nfs/dbraw/zinc/38/99/31/589389931.db2.gz AYLHEKAQOWIWPN-UHFFFAOYSA-N -1 1 237.234 1.084 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000868544851 589563392 /nfs/dbraw/zinc/56/33/92/589563392.db2.gz KQTJMXAPFBCRQP-VCGXYPBASA-N -1 1 235.287 1.654 20 0 BDADMM CCc1[n-]n(Cc2cccnc2)c(=O)c1F ZINC000871944431 589837900 /nfs/dbraw/zinc/83/79/00/589837900.db2.gz MIYZCOUIDMIUPK-SNVBAGLBSA-N -1 1 221.235 1.528 20 0 BDADMM CCc1[n-]n(-c2cnccn2)c(=O)c1C(C)C ZINC000871943558 589838055 /nfs/dbraw/zinc/83/80/55/589838055.db2.gz MMOCANAKUGVJJO-NSHDSACASA-N -1 1 232.287 1.861 20 0 BDADMM COCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948590 589839669 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/nfs/dbraw/zinc/44/97/24/591449724.db2.gz RNHWILXXFLFMEQ-LURJTMIESA-N -1 1 231.658 1.631 20 0 BDADMM CC[C@H](C(=O)[N-]OCCOC)c1ccccc1 ZINC000135134806 591991661 /nfs/dbraw/zinc/99/16/61/591991661.db2.gz OGDVJNCYHUISAA-LBPRGKRZSA-N -1 1 237.299 1.874 20 0 BDADMM CC[C@@H](C(=O)[N-]OCCOC)c1ccccc1 ZINC000135134827 591991723 /nfs/dbraw/zinc/99/17/23/591991723.db2.gz OGDVJNCYHUISAA-GFCCVEGCSA-N -1 1 237.299 1.874 20 0 BDADMM O=C(CCc1ccco1)[N-]OCC(F)(F)F ZINC000135210020 591997028 /nfs/dbraw/zinc/99/70/28/591997028.db2.gz NWPGWLIPSCHRNV-UHFFFAOYSA-N -1 1 237.177 1.822 20 0 BDADMM O=C(CCc1ccncc1)[N-]OCC(F)(F)F ZINC000135226062 591997672 /nfs/dbraw/zinc/99/76/72/591997672.db2.gz KSUGTXANWBIVCS-UHFFFAOYSA-N -1 1 248.204 1.624 20 0 BDADMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccns1 ZINC000884939426 592030247 /nfs/dbraw/zinc/03/02/47/592030247.db2.gz SWDLEYPLNCHYSD-NKWVEPMBSA-N -1 1 232.330 1.077 20 0 BDADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885000041 592033475 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Cc1cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)no1 ZINC000062876707 969883522 /nfs/dbraw/zinc/88/35/22/969883522.db2.gz WWKSHVKCPJLDJL-LBPRGKRZSA-N -1 1 238.287 1.670 20 0 BDADMM Cc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)no1 ZINC000062876707 969883526 /nfs/dbraw/zinc/88/35/26/969883526.db2.gz WWKSHVKCPJLDJL-LBPRGKRZSA-N -1 1 238.287 1.670 20 0 BDADMM [O-]c1c(F)cccc1-c1cnc2ncnn2c1 ZINC001242350939 969899451 /nfs/dbraw/zinc/89/94/51/969899451.db2.gz OTTALJZHICYFST-UHFFFAOYSA-N -1 1 230.202 1.636 20 0 BDADMM Nc1cncn1-c1ccccc1C(=O)[O-] ZINC001210967096 970090654 /nfs/dbraw/zinc/09/06/54/970090654.db2.gz SZKYSKNGAVOGHE-UHFFFAOYSA-N -1 1 203.201 1.153 20 0 BDADMM COc1cnccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001211256931 970198280 /nfs/dbraw/zinc/19/82/80/970198280.db2.gz DJIFXFDPSRZOIR-UHFFFAOYSA-N -1 1 248.286 1.936 20 0 BDADMM Cc1cncc(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170232447 970600649 /nfs/dbraw/zinc/60/06/49/970600649.db2.gz KCGKFMXSPJFNSM-UHFFFAOYSA-N -1 1 242.242 1.506 20 0 BDADMM 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O=c1c2c([n-]n1Cc1ccccn1)CCC2 ZINC001332278449 975040679 /nfs/dbraw/zinc/04/06/79/975040679.db2.gz ROQGAGUCOOCUPG-JTQLQIEISA-N -1 1 215.256 1.580 20 0 BDADMM CCCOC[C@H](C)Oc1nc(=O)[n-]cc1OC ZINC001226821817 975098535 /nfs/dbraw/zinc/09/85/35/975098535.db2.gz GXJCCIYOJBMSSG-QMMMGPOBSA-N -1 1 242.275 1.385 20 0 BDADMM COc1c[n-]c(=O)nc1O[C@H]1CCC(F)(F)C1 ZINC001226827161 975102127 /nfs/dbraw/zinc/10/21/27/975102127.db2.gz BHBIQULKMNVISN-LURJTMIESA-N -1 1 246.213 1.757 20 0 BDADMM C[C@@H]1CCC[C@H](CCOCc2nn[n-]n2)C1 ZINC001332448369 975132380 /nfs/dbraw/zinc/13/23/80/975132380.db2.gz VJTSEQCKLYLVIK-NXEZZACHSA-N -1 1 224.308 1.933 20 0 BDADMM S=c1nccc(O[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC001226942021 975165774 /nfs/dbraw/zinc/16/57/74/975165774.db2.gz HATSJNYPRFGESS-QMMMGPOBSA-N -1 1 248.311 1.356 20 0 BDADMM O=c1[n-]cncc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001227050625 975237282 /nfs/dbraw/zinc/23/72/82/975237282.db2.gz BPVHPHQUYJQEPE-HRDYMLBCSA-N -1 1 206.245 1.750 20 0 BDADMM 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/nfs/dbraw/zinc/46/90/15/980469015.db2.gz HKEBCZMZESAQEZ-AATRIKPKSA-N -1 1 231.259 1.046 20 0 BDADMM Cc1ccc(C(=O)OCc2nn[n-]n2)c(C)c1 ZINC001345162612 980573064 /nfs/dbraw/zinc/57/30/64/980573064.db2.gz LOJVDZLTILGZEV-UHFFFAOYSA-N -1 1 232.243 1.174 20 0 BDADMM Cc1cccc([N-]S(=O)(=O)CC2CC2)n1 ZINC001188922227 980715924 /nfs/dbraw/zinc/71/59/24/980715924.db2.gz YGQGLHOZYUGFDL-UHFFFAOYSA-N -1 1 226.301 1.542 20 0 BDADMM C[C@@H]1CCC[C@H](C(=O)OCc2nn[n-]n2)C1 ZINC001346448745 980839311 /nfs/dbraw/zinc/83/93/11/980839311.db2.gz BUIQVPKBNJSNDK-SFYZADRCSA-N -1 1 224.264 1.069 20 0 BDADMM CCc1ccccc1CC(=O)OCc1nn[n-]n1 ZINC001346451444 980840724 /nfs/dbraw/zinc/84/07/24/980840724.db2.gz VHTWEWRBYCNVNT-UHFFFAOYSA-N -1 1 246.270 1.048 20 0 BDADMM CCc1ncoc1C(=O)[N-]c1nnc(C)s1 ZINC001346750298 980900100 /nfs/dbraw/zinc/90/01/00/980900100.db2.gz PNQQGWMDBTXKPK-UHFFFAOYSA-N -1 1 238.272 1.649 20 0 BDADMM CC(C)(NC(=O)c1cnncc1[O-])C1CC1 ZINC001346868984 980922668 /nfs/dbraw/zinc/92/26/68/980922668.db2.gz 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OWUOYZDOOKRPJW-UHFFFAOYSA-N -1 1 241.316 1.327 20 0 BDADMM CC1(C)C2CCC1(C(=O)Nc1nnn[n-]1)CC2 ZINC001348861322 981464664 /nfs/dbraw/zinc/46/46/64/981464664.db2.gz SWNBXQPRRFPFJU-UHFFFAOYSA-N -1 1 235.291 1.355 20 0 BDADMM CC1(C)C2CCC1(C(=O)Nc1nn[n-]n1)CC2 ZINC001348861322 981464667 /nfs/dbraw/zinc/46/46/67/981464667.db2.gz SWNBXQPRRFPFJU-UHFFFAOYSA-N -1 1 235.291 1.355 20 0 BDADMM CCC[C@H](C)C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001595573167 981487333 /nfs/dbraw/zinc/48/73/33/981487333.db2.gz JFTGIYAKLWXQHR-VIFPVBQESA-N -1 1 231.292 1.284 20 0 BDADMM COC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001193910167 981509469 /nfs/dbraw/zinc/50/94/69/981509469.db2.gz AMDOODQZAVBFQK-UHFFFAOYSA-N -1 1 203.144 1.849 20 0 BDADMM [O-]c1ccc(-c2ncnc3[nH]cnc32)cc1F ZINC001240784239 981826076 /nfs/dbraw/zinc/82/60/76/981826076.db2.gz VLKMDLFZOPZJGZ-UHFFFAOYSA-N -1 1 230.202 1.865 20 0 BDADMM O=C([O-])c1ccc(-c2ncnc3c2CNC3)s1 ZINC001240843326 981885258 /nfs/dbraw/zinc/88/52/58/981885258.db2.gz RLZUXOWJCGWELJ-UHFFFAOYSA-N -1 1 247.279 1.507 20 0 BDADMM O=C(Cc1ccon1)Nc1cccc(F)c1[O-] ZINC001587389761 982069668 /nfs/dbraw/zinc/06/96/68/982069668.db2.gz ROOAXTMTMHGOJQ-UHFFFAOYSA-N -1 1 236.202 1.701 20 0 BDADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccc([O-])cn1 ZINC001588043415 982111048 /nfs/dbraw/zinc/11/10/48/982111048.db2.gz IYYUGYCNPVKFBY-HTRCEHHLSA-N -1 1 246.188 1.468 20 0 BDADMM C[C@H](CCO)CNC(=O)c1ccc(F)c([O-])c1 ZINC001588099903 982111729 /nfs/dbraw/zinc/11/17/29/982111729.db2.gz FDLPOBGBACYAON-MRVPVSSYSA-N -1 1 241.262 1.280 20 0 BDADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncn(C)n1 ZINC001351003616 982157145 /nfs/dbraw/zinc/15/71/45/982157145.db2.gz CQFZISKTXXSGHX-UHFFFAOYSA-N -1 1 249.274 1.487 20 0 BDADMM C=C/C=C/CCn1ccc(-c2nn[n-]n2)cc1=O ZINC001588531192 982295859 /nfs/dbraw/zinc/29/58/59/982295859.db2.gz ZSZATFIRSYVYLL-ONEGZZNKSA-N -1 1 243.270 1.161 20 0 BDADMM C=CC=CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588529725 982297527 /nfs/dbraw/zinc/29/75/27/982297527.db2.gz DYLAJRZGDXJQHO-ARJAWSKDSA-N -1 1 243.274 1.201 20 0 BDADMM C=CC=CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588529725 982297542 /nfs/dbraw/zinc/29/75/42/982297542.db2.gz DYLAJRZGDXJQHO-ARJAWSKDSA-N -1 1 243.274 1.201 20 0 BDADMM O=c1c2c([n-]n1Cc1ccncc1)CCCC2 ZINC001351693923 982363871 /nfs/dbraw/zinc/36/38/71/982363871.db2.gz SSXPMNWPBLYTNM-LLVKDONJSA-N -1 1 229.283 1.970 20 0 BDADMM Cn1cc(-c2c(F)ccc([O-])c2F)ncc1=O ZINC001241290569 982426451 /nfs/dbraw/zinc/42/64/51/982426451.db2.gz ABVYAVZUQWSYAT-UHFFFAOYSA-N -1 1 238.193 1.431 20 0 BDADMM CC(=O)CCCCCn1ccnc1-c1nnn[n-]1 ZINC001588792115 982481740 /nfs/dbraw/zinc/48/17/40/982481740.db2.gz UOBIRKIQEKJZDH-UHFFFAOYSA-N -1 1 248.290 1.213 20 0 BDADMM CC(=O)CCCCCn1ccnc1-c1nn[n-]n1 ZINC001588792115 982481748 /nfs/dbraw/zinc/48/17/48/982481748.db2.gz UOBIRKIQEKJZDH-UHFFFAOYSA-N -1 1 248.290 1.213 20 0 BDADMM Cn1nc(C(=O)[O-])cc1CN1CC[C@@H]1C1CC1 ZINC001352202687 982490295 /nfs/dbraw/zinc/49/02/95/982490295.db2.gz GAUNQOKRERFDHQ-LLVKDONJSA-N -1 1 235.287 1.103 20 0 BDADMM CC(C)[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589436920 982791313 /nfs/dbraw/zinc/79/13/13/982791313.db2.gz LYCFSGQKFCQPSO-QMMMGPOBSA-N -1 1 247.306 1.137 20 0 BDADMM CC(C)[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589436920 982791334 /nfs/dbraw/zinc/79/13/34/982791334.db2.gz LYCFSGQKFCQPSO-QMMMGPOBSA-N -1 1 247.306 1.137 20 0 BDADMM CC[C@@H](CNCc1cc(C)on1)C(=O)[O-] ZINC001589552106 982823905 /nfs/dbraw/zinc/82/39/05/982823905.db2.gz KFURIIDTSWTVFN-QMMMGPOBSA-N -1 1 212.249 1.183 20 0 BDADMM COCNC(=S)Nc1ccc([O-])c(F)c1F ZINC001198835272 982842619 /nfs/dbraw/zinc/84/26/19/982842619.db2.gz IVPIBJKOUFZZJE-UHFFFAOYSA-N -1 1 248.254 1.561 20 0 BDADMM C[C@H]1C[C@@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590218436 982910118 /nfs/dbraw/zinc/91/01/18/982910118.db2.gz GFGXENKBOZAWLW-NKWVEPMBSA-N -1 1 249.249 1.436 20 0 BDADMM C[C@H]1C[C@@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590218436 982910137 /nfs/dbraw/zinc/91/01/37/982910137.db2.gz GFGXENKBOZAWLW-NKWVEPMBSA-N -1 1 249.249 1.436 20 0 BDADMM CC1CCC(Cn2cc(-c3nn[n-]n3)nn2)CC1 ZINC001590228475 982913572 /nfs/dbraw/zinc/91/35/72/982913572.db2.gz CBBSVGRFKHYOKK-UHFFFAOYSA-N -1 1 247.306 1.285 20 0 BDADMM C/C=C/CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590355290 982934403 /nfs/dbraw/zinc/93/44/03/982934403.db2.gz QSJPLDXEVSCNAN-ONEGZZNKSA-N -1 1 230.275 1.558 20 0 BDADMM C/C=C/CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590355290 982934412 /nfs/dbraw/zinc/93/44/12/982934412.db2.gz QSJPLDXEVSCNAN-ONEGZZNKSA-N -1 1 230.275 1.558 20 0 BDADMM CCC(CC)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001590434407 982940679 /nfs/dbraw/zinc/94/06/79/982940679.db2.gz NRMZNUYGZNSFDR-UHFFFAOYSA-N -1 1 247.302 1.465 20 0 BDADMM CC[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590411560 982943861 /nfs/dbraw/zinc/94/38/61/982943861.db2.gz ZZTWLGOCHRPARN-MRVPVSSYSA-N -1 1 247.306 1.505 20 0 BDADMM CC[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590411560 982943865 /nfs/dbraw/zinc/94/38/65/982943865.db2.gz ZZTWLGOCHRPARN-MRVPVSSYSA-N -1 1 247.306 1.505 20 0 BDADMM CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590553877 982953290 /nfs/dbraw/zinc/95/32/90/982953290.db2.gz LNLDXWIFSQOSIU-QMMMGPOBSA-N -1 1 247.306 1.647 20 0 BDADMM CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590553877 982953299 /nfs/dbraw/zinc/95/32/99/982953299.db2.gz LNLDXWIFSQOSIU-QMMMGPOBSA-N -1 1 247.306 1.647 20 0 BDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590654424 982968445 /nfs/dbraw/zinc/96/84/45/982968445.db2.gz YSCJCBPPFUJZDD-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590654424 982968450 /nfs/dbraw/zinc/96/84/50/982968450.db2.gz YSCJCBPPFUJZDD-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM CO[C@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591473145 983071808 /nfs/dbraw/zinc/07/18/08/983071808.db2.gz BGLFGEQTJAPFLF-MRVPVSSYSA-N -1 1 248.290 1.017 20 0 BDADMM CO[C@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591473145 983071819 /nfs/dbraw/zinc/07/18/19/983071819.db2.gz BGLFGEQTJAPFLF-MRVPVSSYSA-N -1 1 248.290 1.017 20 0 BDADMM Cc1ccccc1OCCOCc1nn[n-]n1 ZINC001353925845 983082603 /nfs/dbraw/zinc/08/26/03/983082603.db2.gz JOEYBWMXNKKEBT-UHFFFAOYSA-N -1 1 234.259 1.104 20 0 BDADMM C[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591753311 983091707 /nfs/dbraw/zinc/09/17/07/983091707.db2.gz QMPUVNKLYZRXOQ-IYSWYEEDSA-N -1 1 249.299 1.066 20 0 BDADMM C[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591753311 983091717 /nfs/dbraw/zinc/09/17/17/983091717.db2.gz QMPUVNKLYZRXOQ-IYSWYEEDSA-N -1 1 249.299 1.066 20 0 BDADMM Cc1cc(N2CC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591999589 983107143 /nfs/dbraw/zinc/10/71/43/983107143.db2.gz KGZBKJMYJREJPV-MRVPVSSYSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1cc(N2CC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591999589 983107150 /nfs/dbraw/zinc/10/71/50/983107150.db2.gz KGZBKJMYJREJPV-MRVPVSSYSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n([C@@H]2C=CCCC2)c1C ZINC001592340173 983141747 /nfs/dbraw/zinc/14/17/47/983141747.db2.gz WSJWZAHFUCSTMY-SNVBAGLBSA-N -1 1 244.302 1.961 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n([C@@H]2C=CCCC2)c1C ZINC001592340173 983141763 /nfs/dbraw/zinc/14/17/63/983141763.db2.gz WSJWZAHFUCSTMY-SNVBAGLBSA-N -1 1 244.302 1.961 20 0 BDADMM O=C([O-])c1cncc(-c2ccc3nn[nH]c3c2)n1 ZINC001241937744 983148317 /nfs/dbraw/zinc/14/83/17/983148317.db2.gz DDCTZDUFZPFWIH-UHFFFAOYSA-N -1 1 241.210 1.113 20 0 BDADMM C[C@H](CC(=O)[O-])c1nc(C2(N)CCCC2)no1 ZINC001592424132 983160682 /nfs/dbraw/zinc/16/06/82/983160682.db2.gz NHNVQMMZGOCZPK-SSDOTTSWSA-N -1 1 239.275 1.376 20 0 BDADMM FC1(F)CC(Cn2ccnc2-c2nnn[n-]2)C1 ZINC001592628814 983180523 /nfs/dbraw/zinc/18/05/23/983180523.db2.gz AYJDIUUSAXLFRJ-UHFFFAOYSA-N -1 1 240.217 1.109 20 0 BDADMM FC1(F)CC(Cn2ccnc2-c2nn[n-]n2)C1 ZINC001592628814 983180532 /nfs/dbraw/zinc/18/05/32/983180532.db2.gz AYJDIUUSAXLFRJ-UHFFFAOYSA-N -1 1 240.217 1.109 20 0 BDADMM FC1=CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001592630353 983184985 /nfs/dbraw/zinc/18/49/85/983184985.db2.gz JDZQYIFNNDWMOS-UHFFFAOYSA-N -1 1 246.249 1.325 20 0 BDADMM FC1=CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001592630353 983184989 /nfs/dbraw/zinc/18/49/89/983184989.db2.gz JDZQYIFNNDWMOS-UHFFFAOYSA-N -1 1 246.249 1.325 20 0 BDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001593297970 983251103 /nfs/dbraw/zinc/25/11/03/983251103.db2.gz URDKKZHZWVUALB-UHFFFAOYSA-N -1 1 248.242 1.303 20 0 BDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001593297970 983251109 /nfs/dbraw/zinc/25/11/09/983251109.db2.gz URDKKZHZWVUALB-UHFFFAOYSA-N -1 1 248.242 1.303 20 0 BDADMM O=c1ccc(-c2nn[n-]n2)cn1C1CCCC1 ZINC001593496239 983285248 /nfs/dbraw/zinc/28/52/48/983285248.db2.gz FGGUWRMQHDWACH-UHFFFAOYSA-N -1 1 231.259 1.144 20 0 BDADMM c1coc(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC001593562179 983301752 /nfs/dbraw/zinc/30/17/52/983301752.db2.gz BRLCUGKKSDWNGA-UHFFFAOYSA-N -1 1 246.255 1.401 20 0 BDADMM c1coc(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC001593562179 983301760 /nfs/dbraw/zinc/30/17/60/983301760.db2.gz BRLCUGKKSDWNGA-UHFFFAOYSA-N -1 1 246.255 1.401 20 0 BDADMM c1coc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001593588834 983309774 /nfs/dbraw/zinc/30/97/74/983309774.db2.gz IPFMMVTUBFZEES-UHFFFAOYSA-N -1 1 242.242 1.467 20 0 BDADMM c1coc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001593588834 983309781 /nfs/dbraw/zinc/30/97/81/983309781.db2.gz IPFMMVTUBFZEES-UHFFFAOYSA-N -1 1 242.242 1.467 20 0 BDADMM CCc1nc([C@H](C)SCC(=O)[O-])n[nH]1 ZINC001593647668 983328003 /nfs/dbraw/zinc/32/80/03/983328003.db2.gz TYYNCRHIIGDIHO-YFKPBYRVSA-N -1 1 215.278 1.246 20 0 BDADMM CCc1nc([C@@H](C)SCC(=O)[O-])n[nH]1 ZINC001593647667 983330247 /nfs/dbraw/zinc/33/02/47/983330247.db2.gz TYYNCRHIIGDIHO-RXMQYKEDSA-N -1 1 215.278 1.246 20 0 BDADMM CCOC(=O)c1cnoc1[N-]c1cncc(O)c1 ZINC001201628915 983384847 /nfs/dbraw/zinc/38/48/47/983384847.db2.gz XXZSUJBEIXXAAV-UHFFFAOYSA-N -1 1 249.226 1.696 20 0 BDADMM O=C([O-])Cn1cc(-c2cccc3nc[nH]c32)cn1 ZINC001242183975 983397773 /nfs/dbraw/zinc/39/77/73/983397773.db2.gz DPRZERFJVHAZGW-UHFFFAOYSA-N -1 1 242.238 1.511 20 0 BDADMM [O-]c1cc(F)ccc1-c1cnc2ncnn2c1 ZINC001242220754 983423539 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/nfs/dbraw/zinc/22/24/88/984222488.db2.gz UVHKBERDFKASCW-UHFFFAOYSA-N -1 1 241.250 1.445 20 0 BDADMM Cc1cnc(SCC(C)(C)CO)[n-]c1=O ZINC000691403399 984318440 /nfs/dbraw/zinc/31/84/40/984318440.db2.gz XRZNMNPQLLKXDM-UHFFFAOYSA-N -1 1 228.317 1.601 20 0 BDADMM COc1cnc(C(=O)[N-]c2conc2C)nc1 ZINC001437255428 984351151 /nfs/dbraw/zinc/35/11/51/984351151.db2.gz ZRDOHKKFLIOINV-UHFFFAOYSA-N -1 1 234.215 1.034 20 0 BDADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC001441405277 984476288 /nfs/dbraw/zinc/47/62/88/984476288.db2.gz LKIVYBGWCSKQOF-ZJUUUORDSA-N -1 1 247.294 1.899 20 0 BDADMM COc1ncccc1NC(=O)c1ccc([O-])cn1 ZINC001441557979 984484221 /nfs/dbraw/zinc/48/42/21/984484221.db2.gz GPTBJBXODZUCPX-UHFFFAOYSA-N -1 1 245.238 1.443 20 0 BDADMM C/C(=C\CN1CCC[C@@](C)(F)C1)C(=O)[O-] ZINC001588959732 984726615 /nfs/dbraw/zinc/72/66/15/984726615.db2.gz PSJNEQWXCZHYPD-VCFDLTMXSA-N -1 1 215.268 1.841 20 0 BDADMM CCOC(=O)[C@H](C)N(C)CCCCC(=O)[O-] ZINC001596687221 984787077 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/nfs/dbraw/zinc/06/89/01/587068901.db2.gz PIHDTANRDGPHKE-BDAKNGLRSA-N -1 1 244.302 1.496 20 0 BDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC000820727806 587068903 /nfs/dbraw/zinc/06/89/03/587068903.db2.gz PIHDTANRDGPHKE-BDAKNGLRSA-N -1 1 244.302 1.496 20 0 BDADMM CO[N-]C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000820844443 587076655 /nfs/dbraw/zinc/07/66/55/587076655.db2.gz GUDQOSCUKNGEMO-SNVBAGLBSA-N -1 1 209.220 1.533 20 0 BDADMM CC(C)[C@@H](CO)O[N-]C(=O)C1(C)CC=CC1 ZINC000821741809 587136784 /nfs/dbraw/zinc/13/67/84/587136784.db2.gz SXNMSMADRIHVSE-SNVBAGLBSA-N -1 1 227.304 1.407 20 0 BDADMM OC(=NOCC1CCC1)N=c1cn[n-]s1 ZINC000822817045 587187611 /nfs/dbraw/zinc/18/76/11/587187611.db2.gz LFKCDEOMQKRUAB-UHFFFAOYSA-N -1 1 228.277 1.391 20 0 BDADMM CC(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824192662 587259858 /nfs/dbraw/zinc/25/98/58/587259858.db2.gz KYDGTRRDVZBZRQ-MRVPVSSYSA-N -1 1 247.306 1.361 20 0 BDADMM CC(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824192662 587259859 /nfs/dbraw/zinc/25/98/59/587259859.db2.gz KYDGTRRDVZBZRQ-MRVPVSSYSA-N -1 1 247.306 1.361 20 0 BDADMM CC(C)N(CCNC(=O)[O-])Cc1ccco1 ZINC000824346003 587267200 /nfs/dbraw/zinc/26/72/00/587267200.db2.gz ASDPBKLPRZXRQD-UHFFFAOYSA-N -1 1 226.276 1.758 20 0 BDADMM CC(C)OCCN1CCN(C(=O)[O-])CC1(C)C ZINC000824399884 587269056 /nfs/dbraw/zinc/26/90/56/587269056.db2.gz UATDKZAMTJHMTE-UHFFFAOYSA-N -1 1 244.335 1.486 20 0 BDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000824837193 587290060 /nfs/dbraw/zinc/29/00/60/587290060.db2.gz FSJHQLCJZMDPQX-UHFFFAOYSA-N -1 1 231.263 1.011 20 0 BDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000824837193 587290062 /nfs/dbraw/zinc/29/00/62/587290062.db2.gz FSJHQLCJZMDPQX-UHFFFAOYSA-N -1 1 231.263 1.011 20 0 BDADMM CC[C@@H](C)CNc1n[nH]cc1-c1nnn[n-]1 ZINC000825067316 587302162 /nfs/dbraw/zinc/30/21/62/587302162.db2.gz JKDZDPOQWLOTOA-ZCFIWIBFSA-N -1 1 221.268 1.048 20 0 BDADMM CC[C@@H](C)CNc1n[nH]cc1-c1nn[n-]n1 ZINC000825067316 587302165 /nfs/dbraw/zinc/30/21/65/587302165.db2.gz JKDZDPOQWLOTOA-ZCFIWIBFSA-N -1 1 221.268 1.048 20 0 BDADMM CCC(CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825106362 587305020 /nfs/dbraw/zinc/30/50/20/587305020.db2.gz APHPVIRGSJOCCP-UHFFFAOYSA-N -1 1 233.279 1.257 20 0 BDADMM CCC(CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825106362 587305021 /nfs/dbraw/zinc/30/50/21/587305021.db2.gz APHPVIRGSJOCCP-UHFFFAOYSA-N -1 1 233.279 1.257 20 0 BDADMM CCC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825242437 587310892 /nfs/dbraw/zinc/31/08/92/587310892.db2.gz QZIOKZJXXAWYJV-QMMMGPOBSA-N -1 1 247.306 1.647 20 0 BDADMM CCC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825242437 587310894 /nfs/dbraw/zinc/31/08/94/587310894.db2.gz QZIOKZJXXAWYJV-QMMMGPOBSA-N -1 1 247.306 1.647 20 0 BDADMM CCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825276255 587312436 /nfs/dbraw/zinc/31/24/36/587312436.db2.gz TWKODWCDAKBLBV-UHFFFAOYSA-N -1 1 233.279 1.259 20 0 BDADMM CCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825276255 587312438 /nfs/dbraw/zinc/31/24/38/587312438.db2.gz 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TZRQMMGSVZVIEI-NSHDSACASA-N -1 1 245.290 1.257 20 0 BDADMM CC1(C)C[C@]1(C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590087516 982892889 /nfs/dbraw/zinc/89/28/89/982892889.db2.gz TZRQMMGSVZVIEI-NSHDSACASA-N -1 1 245.290 1.257 20 0 BDADMM CC1(C)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590093720 982893284 /nfs/dbraw/zinc/89/32/84/982893284.db2.gz WEVGQZPNGSBXGW-MRVPVSSYSA-N -1 1 245.290 1.257 20 0 BDADMM CC1(C)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590093720 982893285 /nfs/dbraw/zinc/89/32/85/982893285.db2.gz WEVGQZPNGSBXGW-MRVPVSSYSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@H]1C[C@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001590220395 982911979 /nfs/dbraw/zinc/91/19/79/982911979.db2.gz NRCDREMXOQWCAD-YUMQZZPRSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@H]1C[C@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001590220395 982911988 /nfs/dbraw/zinc/91/19/88/982911988.db2.gz NRCDREMXOQWCAD-YUMQZZPRSA-N -1 1 230.275 1.330 20 0 BDADMM CC[C@H](C)CON=c1cnc(-c2nn[n-]n2)c[nH]1 ZINC001590410324 982927975 /nfs/dbraw/zinc/92/79/75/982927975.db2.gz 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WZYAWKGGJFKSKG-VIFPVBQESA-N -1 1 244.302 1.498 20 0 BDADMM CCN(CC(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001590680744 982978143 /nfs/dbraw/zinc/97/81/43/982978143.db2.gz JSAOIBFVJUMPBX-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CCN(CC(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001590680744 982978151 /nfs/dbraw/zinc/97/81/51/982978151.db2.gz JSAOIBFVJUMPBX-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CC[C@@H]1C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590860042 983002366 /nfs/dbraw/zinc/00/23/66/983002366.db2.gz GHBGTZZLANTSKY-SFYZADRCSA-N -1 1 245.290 1.115 20 0 BDADMM CC[C@@H]1C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590860042 983002381 /nfs/dbraw/zinc/00/23/81/983002381.db2.gz GHBGTZZLANTSKY-SFYZADRCSA-N -1 1 245.290 1.115 20 0 BDADMM CCC[C@@H](CCO)NC(=O)c1ccncc1[O-] ZINC000716904230 983064734 /nfs/dbraw/zinc/06/47/34/983064734.db2.gz WBCRRKWEXOUFGT-VIFPVBQESA-N -1 1 238.287 1.068 20 0 BDADMM CO[C@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591473208 983067920 /nfs/dbraw/zinc/06/79/20/983067920.db2.gz 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20 0 BDADMM Cn1cnc2c1ncnc2-c1ccc(F)c([O-])c1 ZINC001243049329 984399425 /nfs/dbraw/zinc/39/94/25/984399425.db2.gz QFHJUATUDCDEBD-UHFFFAOYSA-N -1 1 244.229 1.875 20 0 BDADMM COC(=O)c1cnc(-c2ccc(F)c([O-])c2)nc1 ZINC001243050232 984399737 /nfs/dbraw/zinc/39/97/37/984399737.db2.gz VWHZMKDEGCZGIP-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM COCC[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001442920530 984508158 /nfs/dbraw/zinc/50/81/58/984508158.db2.gz UTCQDALATFUXNX-MRVPVSSYSA-N -1 1 241.262 1.686 20 0 BDADMM C/C(=C/CN1C[C@H](C)OC2(CCC2)C1)C(=O)[O-] ZINC001588958905 984717186 /nfs/dbraw/zinc/71/71/86/984717186.db2.gz SYNOLPOUUMBPJP-FGUAACIASA-N -1 1 239.315 1.661 20 0 BDADMM C[C@H]1[C@@H](O)CCN1C(=O)c1cc(F)ccc1[O-] ZINC001449639736 984839393 /nfs/dbraw/zinc/83/93/93/984839393.db2.gz RPWFOKDWCCIBDI-XVKPBYJWSA-N -1 1 239.246 1.127 20 0 BDADMM C/C(=C/C(=O)[O-])CN1CCOC[C@H]1C1CC1 ZINC001588948663 984943207 /nfs/dbraw/zinc/94/32/07/984943207.db2.gz JZKYUDNRXHPQNM-WDDYJBPVSA-N -1 1 225.288 1.128 20 0 BDADMM CC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001589040830 985094290 /nfs/dbraw/zinc/09/42/90/985094290.db2.gz FKUCCNNCAQTATA-SNVBAGLBSA-N -1 1 213.277 1.152 20 0 BDADMM O=C(N[C@]12C[C@H]1COC2)c1ccc(F)c([O-])c1 ZINC001455877024 985096042 /nfs/dbraw/zinc/09/60/42/985096042.db2.gz GBFVRTQBAIFMSZ-UFBFGSQYSA-N -1 1 237.230 1.050 20 0 BDADMM [O-]c1cc(-c2cnnnc2)ccc1Cl ZINC001243580998 985140000 /nfs/dbraw/zinc/14/00/00/985140000.db2.gz HPZLKQUMEYYNSX-UHFFFAOYSA-N -1 1 207.620 1.898 20 0 BDADMM CC1(C)CCC[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001457823264 985241123 /nfs/dbraw/zinc/24/11/23/985241123.db2.gz PAVMSDQFHSVCRN-SSDOTTSWSA-N -1 1 223.276 1.880 20 0 BDADMM O=c1nc(NCc2ccon2)cc(Cl)[n-]1 ZINC001458222895 985272940 /nfs/dbraw/zinc/27/29/40/985272940.db2.gz ZXMBQUHLJGNSOD-UHFFFAOYSA-N -1 1 226.623 1.436 20 0 BDADMM CO[C@H]1CCC[C@@H]([N-]S(=O)(=O)C(F)F)C1 ZINC001259964719 986387515 /nfs/dbraw/zinc/38/75/15/986387515.db2.gz FEVQAAATWUGKGD-RQJHMYQMSA-N -1 1 243.275 1.086 20 0 BDADMM O=C(NC[C@@H]1CCOC1)c1cccc([O-])c1F ZINC001464141703 986615219 /nfs/dbraw/zinc/61/52/19/986615219.db2.gz PBSZIUVRRYPVKN-QMMMGPOBSA-N -1 1 239.246 1.298 20 0 BDADMM CS[C@H](C)CNC(=O)c1ccc([O-])cn1 ZINC001466297540 986789008 /nfs/dbraw/zinc/78/90/08/986789008.db2.gz QDVQZPSUTDACQG-SSDOTTSWSA-N -1 1 226.301 1.269 20 0 BDADMM Nc1cc(C(=O)Nc2cccc(F)c2[O-])ccn1 ZINC001580436183 986850777 /nfs/dbraw/zinc/85/07/77/986850777.db2.gz RUGOTCBSUSHWDG-UHFFFAOYSA-N -1 1 247.229 1.761 20 0 BDADMM Nc1cccc(F)c1NC(=O)c1cnncc1[O-] ZINC001580457215 986857531 /nfs/dbraw/zinc/85/75/31/986857531.db2.gz PFGSMIRNEPOPMI-UHFFFAOYSA-N -1 1 248.217 1.156 20 0 BDADMM CCn1cc(-c2c([O-])cccc2F)ncc1=O ZINC001245653555 987026940 /nfs/dbraw/zinc/02/69/40/987026940.db2.gz FHWAAAAMFMPADC-UHFFFAOYSA-N -1 1 234.230 1.775 20 0 BDADMM CCC[C@@H]1C[C@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001471659759 987099293 /nfs/dbraw/zinc/09/92/93/987099293.db2.gz FIJPKGSTDRWERZ-RKDXNWHRSA-N -1 1 249.318 1.131 20 0 BDADMM O=Cn1[n-]c(COCc2ccccc2)cc1=O ZINC001245922460 987166470 /nfs/dbraw/zinc/16/64/70/987166470.db2.gz FYFXQOQGIMYZCV-UHFFFAOYSA-N -1 1 232.239 1.344 20 0 BDADMM Cc1ccc(C(=O)[O-])cc1-n1[nH]c(CO)cc1=O ZINC001245926590 987183261 /nfs/dbraw/zinc/18/32/61/987183261.db2.gz YYPDLTMMJMVZDH-UHFFFAOYSA-N -1 1 248.238 1.077 20 0 BDADMM C[C@H](C(=O)Nc1c[n-][nH]c1=O)c1ccccc1F ZINC001472570756 987245137 /nfs/dbraw/zinc/24/51/37/987245137.db2.gz NOCWNGYTNXTLIO-ZETCQYMHSA-N -1 1 249.245 1.997 20 0 BDADMM Cc1cnc(C(=O)NC2(C)CC2)c([O-])c1 ZINC001116674193 987668810 /nfs/dbraw/zinc/66/88/10/987668810.db2.gz SPGKVKVGJDVIQC-UHFFFAOYSA-N -1 1 206.245 1.378 20 0 BDADMM C[C@H]1[C@@H](O)CCN1Cc1ccc([O-])c(F)c1F ZINC001474525152 987744144 /nfs/dbraw/zinc/74/41/44/987744144.db2.gz ALZFAAHCNKGXMF-CBAPKCEASA-N -1 1 243.253 1.626 20 0 BDADMM CC[C@@](C)(NCc1n[nH]c(C(C)C)n1)C(=O)[O-] ZINC001594853141 987867426 /nfs/dbraw/zinc/86/74/26/987867426.db2.gz IUCBAMPCVDYKIX-LLVKDONJSA-N -1 1 240.307 1.271 20 0 BDADMM CCc1nc(CN(CCC(=O)[O-])C(C)C)n[nH]1 ZINC001118321036 988222131 /nfs/dbraw/zinc/22/21/31/988222131.db2.gz HHKPDXSVGTTYCH-UHFFFAOYSA-N -1 1 240.307 1.052 20 0 BDADMM CCC(=O)C1(C(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC001118708066 988517949 /nfs/dbraw/zinc/51/79/49/988517949.db2.gz PMOOBPYQCQVASE-UHFFFAOYSA-N -1 1 237.259 1.122 20 0 BDADMM Cc1cc(CN(C)CCC(C)(C)C(=O)[O-])no1 ZINC001118903258 988683650 /nfs/dbraw/zinc/68/36/50/988683650.db2.gz JHFNLLAJDUODOM-UHFFFAOYSA-N -1 1 240.303 1.916 20 0 BDADMM Cc1noc([N-][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC001324357222 988811219 /nfs/dbraw/zinc/81/12/19/988811219.db2.gz DXZYKSHWMXOSQA-WDEREUQCSA-N -1 1 231.255 1.448 20 0 BDADMM Cc1noc([N-]Cc2nnc3n2CCCCC3)n1 ZINC001324357904 988811337 /nfs/dbraw/zinc/81/13/37/988811337.db2.gz LYCPJDLUEPQQDN-UHFFFAOYSA-N -1 1 248.290 1.308 20 0 BDADMM O=C(OCc1nn[n-]n1)[C@H]1C[C@@H]1c1ccccc1 ZINC001515654738 989096144 /nfs/dbraw/zinc/09/61/44/989096144.db2.gz VOCPWODUBVGYLA-ZJUUUORDSA-N -1 1 244.254 1.047 20 0 BDADMM O=C(CC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001119472730 989096740 /nfs/dbraw/zinc/09/67/40/989096740.db2.gz YOODQBVTMOPFTJ-UHFFFAOYSA-N -1 1 247.298 1.800 20 0 BDADMM CN(C(=O)/C=C\C1CCCCCC1)c1nn[n-]n1 ZINC001119490545 989106926 /nfs/dbraw/zinc/10/69/26/989106926.db2.gz PEGWFZWQYLIYSA-HJWRWDBZSA-N -1 1 249.318 1.689 20 0 BDADMM ClC(Cl)=CCOCc1nn[n-]n1 ZINC001119606921 989228265 /nfs/dbraw/zinc/22/82/65/989228265.db2.gz PDITYHKFDZJODY-UHFFFAOYSA-N -1 1 209.036 1.035 20 0 BDADMM CC(C)(C)/C=C/C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001521813073 989803572 /nfs/dbraw/zinc/80/35/72/989803572.db2.gz ANXOXSWWXOPUAX-DNQSNQRASA-N -1 1 249.318 1.118 20 0 BDADMM CC(C)CC1(NC(=O)c2cnncc2[O-])CC1 ZINC001120670457 989825403 /nfs/dbraw/zinc/82/54/03/989825403.db2.gz QZTKQKKNXPGYKD-UHFFFAOYSA-N -1 1 235.287 1.491 20 0 BDADMM C[C@@H]1CCN(C(=O)c2cnncc2[O-])C[C@@H]1F ZINC001120717243 989844734 /nfs/dbraw/zinc/84/47/34/989844734.db2.gz QRPWUBQQNNOUSN-APPZFPTMSA-N -1 1 239.250 1.002 20 0 BDADMM C[C@H]1CCN(C(=O)c2cnncc2[O-])C[C@H]1F ZINC001120717245 989845574 /nfs/dbraw/zinc/84/55/74/989845574.db2.gz QRPWUBQQNNOUSN-IONNQARKSA-N -1 1 239.250 1.002 20 0 BDADMM CC[C@@H](F)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC001120748443 989863686 /nfs/dbraw/zinc/86/36/86/989863686.db2.gz DPRABRJEIHKFMV-PHDIDXHHSA-N -1 1 204.270 1.342 20 0 BDADMM CCCC[C@@](C)(F)C(=O)OCc1nn[n-]n1 ZINC001123018164 990491537 /nfs/dbraw/zinc/49/15/37/990491537.db2.gz CCSDEHBWHPNGIE-SECBINFHSA-N -1 1 230.243 1.161 20 0 BDADMM O=C(NCc1ccc(F)cc1)c1cnncc1[O-] ZINC001540359487 990609229 /nfs/dbraw/zinc/60/92/29/990609229.db2.gz XKBWKXSLQYGVFK-UHFFFAOYSA-N -1 1 247.229 1.251 20 0 BDADMM CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001540724610 990643265 /nfs/dbraw/zinc/64/32/65/990643265.db2.gz LXFLOVWAKODAKZ-UHFFFAOYSA-N -1 1 216.240 1.642 20 0 BDADMM CN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001540724393 990643725 /nfs/dbraw/zinc/64/37/25/990643725.db2.gz ASWGPAOHSOYMQW-UHFFFAOYSA-N -1 1 234.230 1.781 20 0 BDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@H]1F ZINC001123901490 990696161 /nfs/dbraw/zinc/69/61/61/990696161.db2.gz FWGXKLUCQYDNDN-PHDIDXHHSA-N -1 1 231.173 1.967 20 0 BDADMM O=C(NC[C@@H]1CCCCO1)c1ccc([O-])cn1 ZINC001544601130 990729743 /nfs/dbraw/zinc/72/97/43/990729743.db2.gz JPQAFKYCRVEREK-JTQLQIEISA-N -1 1 236.271 1.086 20 0 BDADMM CC[C@@](C)(O)CNC(=O)c1ccc(F)c([O-])c1 ZINC001544631402 990733245 /nfs/dbraw/zinc/73/32/45/990733245.db2.gz YPVVEVMTZJHWRL-GFCCVEGCSA-N -1 1 241.262 1.422 20 0 BDADMM CCC(CC)(NC(=O)C=C(C)C)c1nn[n-]n1 ZINC001556495273 990829858 /nfs/dbraw/zinc/82/98/58/990829858.db2.gz ZEMVWXDOPIAVOW-UHFFFAOYSA-N -1 1 237.307 1.297 20 0 BDADMM COC/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592445 990833809 /nfs/dbraw/zinc/83/38/09/990833809.db2.gz NQRUELSMPIYUDU-NSCUHMNNSA-N -1 1 243.209 1.812 20 0 BDADMM CC(C)(O)C1CN(Cc2ccoc2C(=O)[O-])C1 ZINC001590893864 990834564 /nfs/dbraw/zinc/83/45/64/990834564.db2.gz UANJUDRFFFYAJF-UHFFFAOYSA-N -1 1 239.271 1.181 20 0 BDADMM O=C(NC/C=C\CO)c1c([O-])cccc1Cl ZINC001557429633 990891577 /nfs/dbraw/zinc/89/15/77/990891577.db2.gz YBBSZHSHNUVFJP-UPHRSURJSA-N -1 1 241.674 1.324 20 0 BDADMM O=C(CCC1CCC1)NC1(c2nn[n-]n2)CCC1 ZINC001558173190 990925182 /nfs/dbraw/zinc/92/51/82/990925182.db2.gz GELQLCGZKYELTG-UHFFFAOYSA-N -1 1 249.318 1.275 20 0 BDADMM [O-]c1cccnc1CN1CC(F)(F)C[C@H]1CF ZINC001138390826 990928836 /nfs/dbraw/zinc/92/88/36/990928836.db2.gz HPFYFFZUPJIIED-QMMMGPOBSA-N -1 1 246.232 1.966 20 0 BDADMM C[C@@H](O)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644758 990978818 /nfs/dbraw/zinc/97/88/18/990978818.db2.gz XCFOLRUECYNCIV-SCSAIBSYSA-N -1 1 233.626 1.504 20 0 BDADMM Cc1cccc(OCC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001558988046 991014734 /nfs/dbraw/zinc/01/47/34/991014734.db2.gz ZSXGLEIUESPLNJ-UHFFFAOYSA-N -1 1 247.254 1.441 20 0 BDADMM CCc1noc(C)c1C(=O)Nc1c[n-][nH]c1=O ZINC001558988357 991017686 /nfs/dbraw/zinc/01/76/86/991017686.db2.gz NIWFFBJWYZIVFE-UHFFFAOYSA-N -1 1 236.231 1.226 20 0 BDADMM O=C(c1ccc(F)c([O-])c1)N1CCCOC1 ZINC001140410628 991634081 /nfs/dbraw/zinc/63/40/81/991634081.db2.gz GNNUPOVNXVDQFO-UHFFFAOYSA-N -1 1 225.219 1.351 20 0 BDADMM C[C@H](O)c1ccnc([N-]S(=O)(=O)C2CC2)c1 ZINC001259271680 991932465 /nfs/dbraw/zinc/93/24/65/991932465.db2.gz QGTPODWBQWZSJH-ZETCQYMHSA-N -1 1 242.300 1.039 20 0 BDADMM CC(C)CS(=O)(=O)[N-]c1ccccn1 ZINC001259876960 992004688 /nfs/dbraw/zinc/00/46/88/992004688.db2.gz ALBSUNJPTUHTBI-UHFFFAOYSA-N -1 1 214.290 1.479 20 0 BDADMM O=S(=O)([N-][C@H]1CC[C@@H]2CCC[C@@H]21)C(F)F ZINC001259962077 992071862 /nfs/dbraw/zinc/07/18/62/992071862.db2.gz CDJSRJFUUBICPT-FXQIFTODSA-N -1 1 239.287 1.707 20 0 BDADMM COCCS(=O)(=O)[N-]c1nc(C)ccc1C ZINC001259966152 992073922 /nfs/dbraw/zinc/07/39/22/992073922.db2.gz NLFPDUHYUXUMSE-UHFFFAOYSA-N -1 1 244.316 1.087 20 0 BDADMM CC1(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001320404860 992195353 /nfs/dbraw/zinc/19/53/53/992195353.db2.gz GXJIQGUVTLTJLT-UHFFFAOYSA-N -1 1 209.220 1.814 20 0 BDADMM CC(C)CN(CC(=O)[O-])Cc1ccc(CO)o1 ZINC001591303478 992252653 /nfs/dbraw/zinc/25/26/53/992252653.db2.gz ZUTMMIZSXWTYIK-UHFFFAOYSA-N -1 1 241.287 1.315 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc[nH]n1 ZINC001569010917 992264778 /nfs/dbraw/zinc/26/47/78/992264778.db2.gz RQHLVXBXNAXZDI-UHFFFAOYSA-N -1 1 239.181 1.646 20 0 BDADMM CC(C)c1ocnc1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC001261515347 992363069 /nfs/dbraw/zinc/36/30/69/992363069.db2.gz DUWFZBYEDLYGNU-DTWKUNHWSA-N -1 1 240.303 1.997 20 0 BDADMM CCc1nnc([C@H](C)N(C)C[C@H](C)C(=O)[O-])[nH]1 ZINC001261642563 992434550 /nfs/dbraw/zinc/43/45/50/992434550.db2.gz NCMBWJPTYBTPHT-YUMQZZPRSA-N -1 1 240.307 1.081 20 0 BDADMM CC(C)(C)c1cnc(COCc2nn[n-]n2)o1 ZINC001262159812 992715315 /nfs/dbraw/zinc/71/53/15/992715315.db2.gz KKAVGZJWAYWTPX-UHFFFAOYSA-N -1 1 237.263 1.202 20 0 BDADMM CCOC(=O)CN(CCCC(=O)[O-])C1CCC1 ZINC001573787684 992715439 /nfs/dbraw/zinc/71/54/39/992715439.db2.gz IIANBNLEGGVTFU-UHFFFAOYSA-N -1 1 243.303 1.269 20 0 BDADMM CC[C@H](CNCc1nn(C)cc1Cl)C(=O)[O-] ZINC001573805271 992720821 /nfs/dbraw/zinc/72/08/21/992720821.db2.gz LBHZVVCXLWJDMW-SSDOTTSWSA-N -1 1 245.710 1.274 20 0 BDADMM C[C@H](c1ncccn1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001262161116 992723369 /nfs/dbraw/zinc/72/33/69/992723369.db2.gz ZJLPMXRFDCFMQK-GMTAPVOTSA-N -1 1 249.314 1.580 20 0 BDADMM CCCN(Cc1cc(C(=O)[O-])n[nH]1)C1CC1 ZINC001262160239 992723611 /nfs/dbraw/zinc/72/36/11/992723611.db2.gz YULOQVLCDGQMIA-UHFFFAOYSA-N -1 1 223.276 1.482 20 0 BDADMM C[C@H](c1ncccn1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001262160403 992724433 /nfs/dbraw/zinc/72/44/33/992724433.db2.gz DJUADTSYDUZDGA-GMTAPVOTSA-N -1 1 249.314 1.580 20 0 BDADMM CCCC[C@@H](C(=O)OC)N(C)CCC(=O)[O-] ZINC001573841106 992727937 /nfs/dbraw/zinc/72/79/37/992727937.db2.gz OFGLECCPLNOBLL-VIFPVBQESA-N -1 1 231.292 1.125 20 0 BDADMM CCCC[C@H](C(=O)OC)N(C)CCCC(=O)[O-] ZINC001573840660 992729045 /nfs/dbraw/zinc/72/90/45/992729045.db2.gz GOSDUDJKRPVOLD-SNVBAGLBSA-N -1 1 245.319 1.515 20 0 BDADMM Cc1cc(CN2CC(C(=O)[O-])C2)cc(C)n1 ZINC001574326504 992849121 /nfs/dbraw/zinc/84/91/21/992849121.db2.gz TZJRZZSUHAWWBV-UHFFFAOYSA-N -1 1 220.272 1.215 20 0 BDADMM O=C([O-])[C@]12CCC[C@@H]1C[C@H](NC(CF)CF)C2 ZINC001574352845 992850404 /nfs/dbraw/zinc/85/04/04/992850404.db2.gz YBMSSFAAAXLXHL-PTRXPTGYSA-N -1 1 247.285 1.917 20 0 BDADMM CCC[C@H](C)N(C)C(=O)c1cnncc1[O-] ZINC001262602106 992953849 /nfs/dbraw/zinc/95/38/49/992953849.db2.gz UAAKARCTRNLRME-QMMMGPOBSA-N -1 1 223.276 1.443 20 0 BDADMM CCC[C@@H](C)N(C)C(=O)c1cnncc1[O-] ZINC001262602105 992954479 /nfs/dbraw/zinc/95/44/79/992954479.db2.gz UAAKARCTRNLRME-MRVPVSSYSA-N -1 1 223.276 1.443 20 0 BDADMM CO[C@@H]1CCC[C@H]1C(=O)[N-]OCC1CC1 ZINC001262626720 992977155 /nfs/dbraw/zinc/97/71/55/992977155.db2.gz XFHWMZSFGQWZJG-NXEZZACHSA-N -1 1 213.277 1.259 20 0 BDADMM CO[C@H]1CCC[C@@H]1C(=O)[N-]OCC1CC1 ZINC001262626721 992979148 /nfs/dbraw/zinc/97/91/48/992979148.db2.gz XFHWMZSFGQWZJG-UWVGGRQHSA-N -1 1 213.277 1.259 20 0 BDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1F ZINC001262810836 993074271 /nfs/dbraw/zinc/07/42/71/993074271.db2.gz VWCDGGURZSCMMQ-STHAYSLISA-N -1 1 238.144 1.120 20 0 BDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1F ZINC001262810835 993074825 /nfs/dbraw/zinc/07/48/25/993074825.db2.gz VWCDGGURZSCMMQ-PWNYCUMCSA-N -1 1 238.144 1.120 20 0 BDADMM C[C@@H](NC(=O)c1ccncc1[O-])c1cnn(C)c1 ZINC000381050270 993366095 /nfs/dbraw/zinc/36/60/95/993366095.db2.gz QHDYOPRTEKVKCY-MRVPVSSYSA-N -1 1 246.270 1.012 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ncc2ccccn21 ZINC001306848409 994535127 /nfs/dbraw/zinc/53/51/27/994535127.db2.gz QAWIYXDJDWCIBG-UHFFFAOYSA-N -1 1 243.226 1.015 20 0 BDADMM C[C@@H](c1ncccn1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001334040057 994564587 /nfs/dbraw/zinc/56/45/87/994564587.db2.gz GVQMEUCIJBNDOG-QWRGUYRKSA-N -1 1 249.314 1.724 20 0 BDADMM Cn1nccc1NC(=O)c1cccc([O-])c1F ZINC001292361037 994607866 /nfs/dbraw/zinc/60/78/66/994607866.db2.gz YZCKUSNYFFABFK-UHFFFAOYSA-N -1 1 235.218 1.517 20 0 BDADMM O=C(/C=C\c1ccncn1)[N-]O[C@@H]1CCCCO1 ZINC001292298795 994608528 /nfs/dbraw/zinc/60/85/28/994608528.db2.gz PCLIQEMSMLMLCK-QMAVJUDZSA-N -1 1 249.270 1.064 20 0 BDADMM CC(=CC(=O)Nc1nnn[n-]1)c1cccs1 ZINC001293901637 994669297 /nfs/dbraw/zinc/66/92/97/994669297.db2.gz XNPIEQUVYJVDDE-WAYWQWQTSA-N -1 1 235.272 1.303 20 0 BDADMM CC(=CC(=O)Nc1nn[n-]n1)c1cccs1 ZINC001293901637 994669307 /nfs/dbraw/zinc/66/93/07/994669307.db2.gz XNPIEQUVYJVDDE-WAYWQWQTSA-N -1 1 235.272 1.303 20 0 BDADMM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccn1 ZINC001593293891 994687138 /nfs/dbraw/zinc/68/71/38/994687138.db2.gz YJWSNSAFDKODAI-VIFPVBQESA-N -1 1 245.282 1.959 20 0 BDADMM CC1(C)COCCN1C(=O)c1ccc([O-])cn1 ZINC001297395932 994867320 /nfs/dbraw/zinc/86/73/20/994867320.db2.gz OJAIGXZDDYKRQJ-UHFFFAOYSA-N -1 1 236.271 1.038 20 0 BDADMM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc([O-])cn1 ZINC001302083366 995112840 /nfs/dbraw/zinc/11/28/40/995112840.db2.gz QWHKOHHIEXFWBZ-SKDRFNHKSA-N -1 1 248.282 1.085 20 0 BDADMM Cc1c(C(=O)Nc2cccc(F)c2[O-])cnn1C ZINC001302482333 995121407 /nfs/dbraw/zinc/12/14/07/995121407.db2.gz XYYWJCGDFNELDN-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM Cc1ccnn1CC(=O)Nc1cccc(F)c1[O-] ZINC001302484655 995121603 /nfs/dbraw/zinc/12/16/03/995121603.db2.gz FGGGDIYKCALBKA-UHFFFAOYSA-N -1 1 249.245 1.675 20 0 BDADMM Cc1cnc(NC(=O)c2ccc([O-])cn2)o1 ZINC001303256875 995148136 /nfs/dbraw/zinc/14/81/36/995148136.db2.gz CJUNYOCUMUEQGI-UHFFFAOYSA-N -1 1 219.200 1.336 20 0 BDADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@H](C)C1 ZINC001598697288 995161321 /nfs/dbraw/zinc/16/13/21/995161321.db2.gz GDQCDBQQKQVUQL-UWVGGRQHSA-N -1 1 243.303 1.125 20 0 BDADMM CC(=O)c1ccc(C(=O)Nc2c[n-][nH]c2=O)o1 ZINC001306847969 995263927 /nfs/dbraw/zinc/26/39/27/995263927.db2.gz GWVACTRIAMORCI-UHFFFAOYSA-N -1 1 235.199 1.163 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001306848617 995264314 /nfs/dbraw/zinc/26/43/14/995264314.db2.gz VWCGINPJBKQYBF-PSVAKVPMSA-N -1 1 235.287 1.880 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2[nH]cnc2c1 ZINC001306848456 995264419 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/nfs/dbraw/zinc/75/02/57/384750257.db2.gz XHRPDGJRPJHCRG-UHFFFAOYSA-N -1 1 222.288 1.953 20 0 BDADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1C ZINC000177109384 384866289 /nfs/dbraw/zinc/86/62/89/384866289.db2.gz DHCSHPHHOZAKKU-BDAKNGLRSA-N -1 1 220.272 1.658 20 0 BDADMM O=C(c1ncccc1[O-])N1CC2(C1)CCOCC2 ZINC000647615257 384967411 /nfs/dbraw/zinc/96/74/11/384967411.db2.gz ADVREXPLWXBAJB-UHFFFAOYSA-N -1 1 248.282 1.040 20 0 BDADMM CCOCCSc1nc(CC)cc(=O)[n-]1 ZINC000188095696 385012987 /nfs/dbraw/zinc/01/29/87/385012987.db2.gz RTVXITIGEFCMPF-UHFFFAOYSA-N -1 1 228.317 1.461 20 0 BDADMM O=C([O-])[C@]1(NCc2ccsc2)CCOC1 ZINC000308814255 385182341 /nfs/dbraw/zinc/18/23/41/385182341.db2.gz ADFZEIDLEMYPNH-JTQLQIEISA-N -1 1 227.285 1.081 20 0 BDADMM C[C@@H](O)CCNC(=O)c1ccc([O-])cc1F ZINC000154907811 385364146 /nfs/dbraw/zinc/36/41/46/385364146.db2.gz PCENEXQNYRXWJR-SSDOTTSWSA-N -1 1 227.235 1.032 20 0 BDADMM C[C@H](O)CCNC(=O)c1ccc([O-])cc1F ZINC000154907705 385364191 /nfs/dbraw/zinc/36/41/91/385364191.db2.gz PCENEXQNYRXWJR-ZETCQYMHSA-N -1 1 227.235 1.032 20 0 BDADMM COC(=O)c1c[n-]c(SCC(F)(F)F)n1 ZINC000193536081 385399943 /nfs/dbraw/zinc/39/99/43/385399943.db2.gz CCDXBRRCFYZODE-UHFFFAOYSA-N -1 1 240.206 1.851 20 0 BDADMM CO[C@H](C)c1nc(=N[C@H]2CC[C@H]2C)s[n-]1 ZINC000336681333 385636573 /nfs/dbraw/zinc/63/65/73/385636573.db2.gz JAHCOWOKBMLRTD-PRJMDXOYSA-N -1 1 227.333 1.878 20 0 BDADMM Cc1ccc(C[C@H](C)C(=O)Nc2nnn[n-]2)cc1 ZINC000181995660 385628428 /nfs/dbraw/zinc/62/84/28/385628428.db2.gz DAGAEOCYAFNOPK-VIFPVBQESA-N -1 1 245.286 1.325 20 0 BDADMM Cc1ccc(C[C@H](C)C(=O)Nc2nn[n-]n2)cc1 ZINC000181995660 385628430 /nfs/dbraw/zinc/62/84/30/385628430.db2.gz DAGAEOCYAFNOPK-VIFPVBQESA-N -1 1 245.286 1.325 20 0 BDADMM C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000037374753 385640303 /nfs/dbraw/zinc/64/03/03/385640303.db2.gz DXJQHGVGUCGFFW-UHFFFAOYSA-N -1 1 246.140 1.963 20 0 BDADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cn[nH]c1 ZINC000229962331 385692520 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/nfs/dbraw/zinc/09/59/11/587095911.db2.gz ZYHNBLYCRLBUNE-SECBINFHSA-N -1 1 247.298 1.824 20 0 BDADMM O=C(CN1CCCC1)Nc1c([O-])cccc1F ZINC000821343968 587109309 /nfs/dbraw/zinc/10/93/09/587109309.db2.gz BGGUIKBBDJRLLM-UHFFFAOYSA-N -1 1 238.262 1.566 20 0 BDADMM CCC[C@H](O)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000822972280 587196440 /nfs/dbraw/zinc/19/64/40/587196440.db2.gz QXOYQUGNYCCSDW-VIFPVBQESA-N -1 1 245.225 1.770 20 0 BDADMM O=C([N-]c1cnsn1)c1cc(C2CC2)no1 ZINC000823853426 587243456 /nfs/dbraw/zinc/24/34/56/587243456.db2.gz LUHGDBGXWYZOFG-UHFFFAOYSA-N -1 1 236.256 1.656 20 0 BDADMM C[C@@H]1C[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000824899602 587292306 /nfs/dbraw/zinc/29/23/06/587292306.db2.gz LPFDGLACINKZKI-SFYZADRCSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@@H]1C[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000824899602 587292307 /nfs/dbraw/zinc/29/23/07/587292307.db2.gz LPFDGLACINKZKI-SFYZADRCSA-N -1 1 230.275 1.330 20 0 BDADMM C[C@@H](NC(=O)[O-])C1CCN(CCF)CC1 ZINC000825285797 587313029 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226.257 1.154 20 0 BDADMM O=c1nc(N2OC3CCC2CC3)cc(Cl)[n-]1 ZINC000866306375 589485234 /nfs/dbraw/zinc/48/52/34/589485234.db2.gz GSUGYCTTZFMJAY-UHFFFAOYSA-N -1 1 241.678 1.898 20 0 BDADMM CCON(CC)c1cc(Cl)[n-]c(=O)n1 ZINC000866307097 589485570 /nfs/dbraw/zinc/48/55/70/589485570.db2.gz QQJWHGHPOPOOFM-UHFFFAOYSA-N -1 1 217.656 1.613 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000868544818 589563482 /nfs/dbraw/zinc/56/34/82/589563482.db2.gz JKWTZIGCKWKASJ-PRHODGIISA-N -1 1 235.287 1.943 20 0 BDADMM CS[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000871096483 589725627 /nfs/dbraw/zinc/72/56/27/589725627.db2.gz RTCXAFSSUKPUMI-CZMCAQCFSA-N -1 1 238.312 1.411 20 0 BDADMM Cc1[n-]n(-c2ccc(C)cn2)c(=O)c1F ZINC000871948835 589839700 /nfs/dbraw/zinc/83/97/00/589839700.db2.gz DLJPDZDFZCHZSH-SECBINFHSA-N -1 1 207.208 1.451 20 0 BDADMM Cc1[n-]n(-c2cccc(F)n2)c(=O)c1C1CC1 ZINC000871951482 589840548 /nfs/dbraw/zinc/84/05/48/589840548.db2.gz NZDJPEZJUPTMLE-LLVKDONJSA-N -1 1 233.246 1.969 20 0 BDADMM CSCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000125133758 590125653 /nfs/dbraw/zinc/12/56/53/590125653.db2.gz NTZPNGUSZNSXEN-MRVPVSSYSA-N -1 1 240.328 1.659 20 0 BDADMM CSCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC000125133510 590125700 /nfs/dbraw/zinc/12/57/00/590125700.db2.gz NTZPNGUSZNSXEN-QMMMGPOBSA-N -1 1 240.328 1.659 20 0 BDADMM COCC1CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000880597364 591107188 /nfs/dbraw/zinc/10/71/88/591107188.db2.gz VBDXSAAILXAATJ-UHFFFAOYSA-N -1 1 239.246 1.250 20 0 BDADMM C[C@H]1CCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000881480937 591211949 /nfs/dbraw/zinc/21/19/49/591211949.db2.gz AUGQRUADZCIYPB-ZETCQYMHSA-N -1 1 248.311 1.252 20 0 BDADMM N[C@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000129485895 591311981 /nfs/dbraw/zinc/31/19/81/591311981.db2.gz WIHUCPRGPNRGRQ-QMMMGPOBSA-N -1 1 248.204 1.297 20 0 BDADMM CC[C@@H]([N-]c1nnc(C(C)(C)C)o1)C(=O)NC ZINC000882433963 591347448 /nfs/dbraw/zinc/34/74/48/591347448.db2.gz PDJHOSJLHBAMQS-SSDOTTSWSA-N -1 1 240.307 1.304 20 0 BDADMM CC[C@@H]1COCCN1C/C=C(\C)C(=O)[O-] ZINC000214620345 591676046 /nfs/dbraw/zinc/67/60/46/591676046.db2.gz IXTMCTYZEFLWOM-WXLQGSQKSA-N -1 1 213.277 1.128 20 0 BDADMM O=C(OCC(=O)C(F)F)c1ccc([O-])cc1F ZINC000800193545 591836583 /nfs/dbraw/zinc/83/65/83/591836583.db2.gz SUAOIRZAVQFVFL-UHFFFAOYSA-N -1 1 248.156 1.522 20 0 BDADMM Cc1ccncc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000135554064 592016867 /nfs/dbraw/zinc/01/68/67/592016867.db2.gz VPRTXICYKLCPKF-JTQLQIEISA-N -1 1 220.272 1.297 20 0 BDADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccns1 ZINC000884976170 592031911 /nfs/dbraw/zinc/03/19/11/592031911.db2.gz KWWJHBKRHSECCM-JGVFFNPUSA-N -1 1 248.373 1.856 20 0 BDADMM Cc1cnc(C(=O)N2CCCC(=O)[C@H]2C)c([O-])c1 ZINC000885048299 592039134 /nfs/dbraw/zinc/03/91/34/592039134.db2.gz PHJIRJRPWJYFPK-SECBINFHSA-N -1 1 248.282 1.289 20 0 BDADMM Cc1cnc(C(=O)N2CC(=O)CC[C@@H]2C)c([O-])c1 ZINC000885082604 592048576 /nfs/dbraw/zinc/04/85/76/592048576.db2.gz ABRMSTBZIPCSHN-VIFPVBQESA-N -1 1 248.282 1.289 20 0 BDADMM 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C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001177949111 978481148 /nfs/dbraw/zinc/48/11/48/978481148.db2.gz QFQYKZTVKRMBOE-RKDXNWHRSA-N -1 1 220.272 1.706 20 0 BDADMM CNC(=O)CN(C)Cc1ccc([S-])cc1 ZINC001233258454 978516853 /nfs/dbraw/zinc/51/68/53/978516853.db2.gz GACSCFAATYUACK-UHFFFAOYSA-N -1 1 224.329 1.153 20 0 BDADMM CC(C)=C[C@H]1[C@H](C(=O)N(C)c2nn[n-]n2)C1(C)C ZINC001338075391 978601788 /nfs/dbraw/zinc/60/17/88/978601788.db2.gz FMGCJBPEOCKECJ-DTWKUNHWSA-N -1 1 249.318 1.401 20 0 BDADMM CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2nn[n-]n2)C1(C)C ZINC001338075394 978602105 /nfs/dbraw/zinc/60/21/05/978602105.db2.gz FMGCJBPEOCKECJ-RKDXNWHRSA-N -1 1 249.318 1.401 20 0 BDADMM Cc1cccc([C@H](C)C(=O)N(C)c2nn[n-]n2)c1 ZINC001338076535 978604448 /nfs/dbraw/zinc/60/44/48/978604448.db2.gz QGMNTOSRYNBQQN-VIFPVBQESA-N -1 1 245.286 1.275 20 0 BDADMM Cc1cc([C@H](C)N[C@H]2CC=C(C(=O)[O-])C2)no1 ZINC001600144268 978669977 /nfs/dbraw/zinc/66/99/77/978669977.db2.gz WZKFORPKNWYTEY-WPRPVWTQSA-N -1 1 236.271 1.807 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CC1(C)C[C@@H]1C(=O)NCCCC[P@](=O)([O-])O ZINC001181300389 979036016 /nfs/dbraw/zinc/03/60/16/979036016.db2.gz QDEYMPFHHZYHDX-MRVPVSSYSA-N -1 1 249.247 1.107 20 0 BDADMM O=C([O-])c1cc(N2CCc3cnccc32)ncn1 ZINC001602279296 979100081 /nfs/dbraw/zinc/10/00/81/979100081.db2.gz TZJZDOMPAMJERM-UHFFFAOYSA-N -1 1 242.238 1.264 20 0 BDADMM O=C([O-])c1occc1CNC/C=C/Cl ZINC001602591276 979137166 /nfs/dbraw/zinc/13/71/66/979137166.db2.gz XBMKISJBXCXVCR-HNQUOIGGSA-N -1 1 215.636 1.820 20 0 BDADMM O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1ccc([O-])cn1 ZINC001181812568 979329973 /nfs/dbraw/zinc/32/99/73/979329973.db2.gz KADQVLJTJHFCDK-AOOOYVTPSA-N -1 1 247.298 1.164 20 0 BDADMM C/C(=C/C(=O)[O-])CN1CC[C@H](C)[C@H](F)C1 ZINC001602958772 979340335 /nfs/dbraw/zinc/34/03/35/979340335.db2.gz YDEKPTMIZTUWMH-FGRQDEOASA-N -1 1 215.268 1.697 20 0 BDADMM C/C(=C/C(=O)[O-])CN1CC[C@H](C)[C@@H](F)C1 ZINC001602958773 979342393 /nfs/dbraw/zinc/34/23/93/979342393.db2.gz YDEKPTMIZTUWMH-VAJAEUGUSA-N -1 1 215.268 1.697 20 0 BDADMM CC1(C)C[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603766049 979513299 /nfs/dbraw/zinc/51/32/99/979513299.db2.gz HYMJHBLRDLHNQG-QMMMGPOBSA-N -1 1 244.302 1.142 20 0 BDADMM CC1(C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603766049 979513305 /nfs/dbraw/zinc/51/33/05/979513305.db2.gz HYMJHBLRDLHNQG-QMMMGPOBSA-N -1 1 244.302 1.142 20 0 BDADMM CC1(C)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603778809 979517989 /nfs/dbraw/zinc/51/79/89/979517989.db2.gz UIGDDMGZICOYAW-UHFFFAOYSA-N -1 1 247.258 1.084 20 0 BDADMM CC1(C)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603778809 979517995 /nfs/dbraw/zinc/51/79/95/979517995.db2.gz UIGDDMGZICOYAW-UHFFFAOYSA-N -1 1 247.258 1.084 20 0 BDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001603820382 979527781 /nfs/dbraw/zinc/52/77/81/979527781.db2.gz IMSXPUXGVRSQHJ-UHFFFAOYSA-N -1 1 231.263 1.011 20 0 BDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001603820382 979527788 /nfs/dbraw/zinc/52/77/88/979527788.db2.gz IMSXPUXGVRSQHJ-UHFFFAOYSA-N -1 1 231.263 1.011 20 0 BDADMM C[C@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603882165 979532644 /nfs/dbraw/zinc/53/26/44/979532644.db2.gz PTJXADNOHOPYGT-IUCAKERBSA-N -1 1 244.302 1.862 20 0 BDADMM C[C@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603882165 979532649 /nfs/dbraw/zinc/53/26/49/979532649.db2.gz PTJXADNOHOPYGT-IUCAKERBSA-N -1 1 244.302 1.862 20 0 BDADMM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603879616 979534490 /nfs/dbraw/zinc/53/44/90/979534490.db2.gz CDXOBMITGBDKJU-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603879616 979534499 /nfs/dbraw/zinc/53/44/99/979534499.db2.gz CDXOBMITGBDKJU-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CCCC[C@@H]1Cn1cc(-c2nn[n-]n2)nn1 ZINC001603892476 979539465 /nfs/dbraw/zinc/53/94/65/979539465.db2.gz NDPRTXZWRDRMFV-RKDXNWHRSA-N -1 1 247.306 1.285 20 0 BDADMM CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001604360420 979624813 /nfs/dbraw/zinc/62/48/13/979624813.db2.gz WOYIELDKNBSCHD-UHFFFAOYSA-N -1 1 230.684 1.408 20 0 BDADMM CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001604360420 979624823 /nfs/dbraw/zinc/62/48/23/979624823.db2.gz WOYIELDKNBSCHD-UHFFFAOYSA-N -1 1 230.684 1.408 20 0 BDADMM CCc1nc(N[C@H](C)CC)cc(-c2nnn[n-]2)n1 ZINC001604557270 979675141 /nfs/dbraw/zinc/67/51/41/979675141.db2.gz LVKOAXLIZJGBJQ-SSDOTTSWSA-N -1 1 247.306 1.430 20 0 BDADMM CCc1nc(N[C@H](C)CC)cc(-c2nn[n-]n2)n1 ZINC001604557270 979675145 /nfs/dbraw/zinc/67/51/45/979675145.db2.gz LVKOAXLIZJGBJQ-SSDOTTSWSA-N -1 1 247.306 1.430 20 0 BDADMM CCC(F)(F)CN[C@H](CC(=O)[O-])C1CC1 ZINC001605064797 979807929 /nfs/dbraw/zinc/80/79/29/979807929.db2.gz FTYWBNTWHOKXHP-MRVPVSSYSA-N -1 1 221.247 1.875 20 0 BDADMM Cc1c[nH]nc1CNCc1ccccc1C(=O)[O-] ZINC001605093706 979811937 /nfs/dbraw/zinc/81/19/37/979811937.db2.gz OLEWLWLBCAZGSY-UHFFFAOYSA-N -1 1 245.282 1.706 20 0 BDADMM Cc1cccc([C@H](NCc2nnc[nH]2)C(=O)[O-])c1 ZINC001605328757 979853855 /nfs/dbraw/zinc/85/38/55/979853855.db2.gz DAZRSGIVYIZWTF-NSHDSACASA-N -1 1 246.270 1.029 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C)c1 ZINC001605560885 979890166 /nfs/dbraw/zinc/89/01/66/979890166.db2.gz KQRDOUBJRGJSMV-VIFPVBQESA-N -1 1 244.302 1.559 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C)c1 ZINC001605560885 979890169 /nfs/dbraw/zinc/89/01/69/979890169.db2.gz KQRDOUBJRGJSMV-VIFPVBQESA-N -1 1 244.302 1.559 20 0 BDADMM Cc1cc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC001605670890 979908930 /nfs/dbraw/zinc/90/89/30/979908930.db2.gz FDUKLEJGRQVAQE-UHFFFAOYSA-N -1 1 246.299 1.481 20 0 BDADMM Cc1cc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC001605670890 979908937 /nfs/dbraw/zinc/90/89/37/979908937.db2.gz FDUKLEJGRQVAQE-UHFFFAOYSA-N -1 1 246.299 1.481 20 0 BDADMM O=C([O-])C1CCN(Cc2cccc(F)n2)CC1 ZINC001606016085 979942145 /nfs/dbraw/zinc/94/21/45/979942145.db2.gz WXVQRXMXZGTEKC-UHFFFAOYSA-N -1 1 238.262 1.517 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2C[C@@H]2C)c1C ZINC001606020992 979945250 /nfs/dbraw/zinc/94/52/50/979945250.db2.gz FPYBWERQHVNFOX-IMTBSYHQSA-N -1 1 232.291 1.336 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2C[C@@H]2C)c1C ZINC001606020992 979945254 /nfs/dbraw/zinc/94/52/54/979945254.db2.gz FPYBWERQHVNFOX-IMTBSYHQSA-N -1 1 232.291 1.336 20 0 BDADMM O=C([O-])CCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC001606172100 979967775 /nfs/dbraw/zinc/96/77/75/979967775.db2.gz WOOBZVVJXXUSQU-LLVKDONJSA-N -1 1 237.303 1.802 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC001607133640 980088575 /nfs/dbraw/zinc/08/85/75/980088575.db2.gz LDMSUCUNWJNKGF-RKDXNWHRSA-N -1 1 242.286 1.108 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC001607133640 980088584 /nfs/dbraw/zinc/08/85/84/980088584.db2.gz LDMSUCUNWJNKGF-RKDXNWHRSA-N -1 1 242.286 1.108 20 0 BDADMM Cc1nocc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC001608029605 980152849 /nfs/dbraw/zinc/15/28/49/980152849.db2.gz UBCQJOPUQHKBHK-UHFFFAOYSA-N -1 1 222.244 1.032 20 0 BDADMM Nc1ccc([N-]c2nonc2C2CC2)c(F)n1 ZINC001203613576 980208511 /nfs/dbraw/zinc/20/85/11/980208511.db2.gz UQRPKFVYQBSKPK-UHFFFAOYSA-N -1 1 235.222 1.807 20 0 BDADMM O=C([O-])/C=C\c1ccc(CNC/C=C/CO)o1 ZINC001608660148 980258011 /nfs/dbraw/zinc/25/80/11/980258011.db2.gz LXWZNLSNPKZYGT-NRUGGMJCSA-N -1 1 237.255 1.016 20 0 BDADMM CC(C)(C)CCCCC(=O)OCc1nn[n-]n1 ZINC001343955435 980294394 /nfs/dbraw/zinc/29/43/94/980294394.db2.gz ZJSJRODJZCRNRU-UHFFFAOYSA-N -1 1 240.307 1.849 20 0 BDADMM Cc1ncn(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186208880 980353542 /nfs/dbraw/zinc/35/35/42/980353542.db2.gz LAULZACDFGCYCA-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM Cc1ncn(C)c1NC(=O)c1ccc([O-])cc1F ZINC001186317982 980361258 /nfs/dbraw/zinc/36/12/58/980361258.db2.gz AMKFTYPUILZJCT-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM O=C(NCC(F)(F)F)Nc1ncccc1[O-] ZINC001187050940 980472150 /nfs/dbraw/zinc/47/21/50/980472150.db2.gz LRDYXMNNIORZBE-UHFFFAOYSA-N -1 1 235.165 1.471 20 0 BDADMM O=S(=O)([N-]CC1CCC1)c1nccs1 ZINC001187847050 980560310 /nfs/dbraw/zinc/56/03/10/980560310.db2.gz VZLXMSRGGQDIBP-UHFFFAOYSA-N -1 1 232.330 1.222 20 0 BDADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1nccs1 ZINC001187901267 980567780 /nfs/dbraw/zinc/56/77/80/980567780.db2.gz DJHICLVDIAFLAF-JGVFFNPUSA-N -1 1 246.357 1.610 20 0 BDADMM CC(C)(C)C1CC(C(=O)OCc2nn[n-]n2)C1 ZINC001345157644 980569738 /nfs/dbraw/zinc/56/97/38/980569738.db2.gz QABCIGZROQYYKJ-UHFFFAOYSA-N -1 1 238.291 1.315 20 0 BDADMM O=C(OCc1nn[n-]n1)c1coc(C(F)F)c1 ZINC001345162025 980573528 /nfs/dbraw/zinc/57/35/28/980573528.db2.gz DDGINHQWWUVKER-UHFFFAOYSA-N -1 1 244.157 1.087 20 0 BDADMM O=S(=O)([N-]c1cc(F)ccn1)C1CCC1 ZINC001188104394 980594900 /nfs/dbraw/zinc/59/49/00/980594900.db2.gz GABNDQOLJSXONC-UHFFFAOYSA-N -1 1 230.264 1.515 20 0 BDADMM Cc1cncnc1[N-]S(=O)(=O)C1CCC1 ZINC001188110918 980596504 /nfs/dbraw/zinc/59/65/04/980596504.db2.gz SNMVPLMLPTWYBT-UHFFFAOYSA-N -1 1 227.289 1.079 20 0 BDADMM O=C(Nc1cc[nH]n1)c1ncc(C(F)(F)F)[n-]1 ZINC001188277085 980632047 /nfs/dbraw/zinc/63/20/47/980632047.db2.gz AQJGBGMJAHMMMW-UHFFFAOYSA-N -1 1 245.164 1.404 20 0 BDADMM O=C(Nc1cc[nH]n1)c1nc(C(F)(F)F)c[n-]1 ZINC001188277085 980632048 /nfs/dbraw/zinc/63/20/48/980632048.db2.gz AQJGBGMJAHMMMW-UHFFFAOYSA-N -1 1 245.164 1.404 20 0 BDADMM Cc1cccc([N-]S(=O)(=O)CCCF)n1 ZINC001189862135 980821257 /nfs/dbraw/zinc/82/12/57/980821257.db2.gz DBUAEBBQEPQLMK-UHFFFAOYSA-N -1 1 232.280 1.491 20 0 BDADMM CCn1cc([N-]S(=O)(=O)CCCF)c(C)n1 ZINC001189868668 980824446 /nfs/dbraw/zinc/82/44/46/980824446.db2.gz VTBPCEGSTWFILH-UHFFFAOYSA-N -1 1 249.311 1.313 20 0 BDADMM CCc1cccc([N-]S(=O)(=O)CCCF)n1 ZINC001189869984 980824744 /nfs/dbraw/zinc/82/47/44/980824744.db2.gz KWEGQYFGHVBWKJ-UHFFFAOYSA-N -1 1 246.307 1.745 20 0 BDADMM CC1(C(=O)OCc2nn[n-]n2)CCCCC1 ZINC001346451431 980840813 /nfs/dbraw/zinc/84/08/13/980840813.db2.gz VEKAQVSJJRFNJC-UHFFFAOYSA-N -1 1 224.264 1.213 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)NC1CC1 ZINC001191475535 981036360 /nfs/dbraw/zinc/03/63/60/981036360.db2.gz IJLOCBSDXDVOND-UHFFFAOYSA-N -1 1 228.198 1.954 20 0 BDADMM O=C([N-]c1nc2ccc(F)cc2o1)c1ncon1 ZINC001192008115 981116104 /nfs/dbraw/zinc/11/61/04/981116104.db2.gz IZDNLYDRIRJCEI-UHFFFAOYSA-N -1 1 248.173 1.602 20 0 BDADMM CC(=O)CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC001192526744 981169983 /nfs/dbraw/zinc/16/99/83/981169983.db2.gz NJBMHSLCSHXNSI-UHFFFAOYSA-N -1 1 243.209 1.331 20 0 BDADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001240223855 981181670 /nfs/dbraw/zinc/18/16/70/981181670.db2.gz MUGCPHXHCLVFHQ-UHFFFAOYSA-N -1 1 238.254 1.632 20 0 BDADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001240223855 981181676 /nfs/dbraw/zinc/18/16/76/981181676.db2.gz MUGCPHXHCLVFHQ-UHFFFAOYSA-N -1 1 238.254 1.632 20 0 BDADMM O=S(=O)(CC1CCC1)[N-]c1cncnc1 ZINC001193467692 981339762 /nfs/dbraw/zinc/33/97/62/981339762.db2.gz BOFMYMMXHDZEBF-UHFFFAOYSA-N -1 1 227.289 1.018 20 0 BDADMM Cc1n[nH]cc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001240523502 981457134 /nfs/dbraw/zinc/45/71/34/981457134.db2.gz YINCPKDCPHBNKI-UHFFFAOYSA-N -1 1 241.250 1.198 20 0 BDADMM COC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001193882174 981470518 /nfs/dbraw/zinc/47/05/18/981470518.db2.gz BYMNFEYNVZAUQV-UHFFFAOYSA-N -1 1 230.205 1.047 20 0 BDADMM CC1(C)C(C)(C)C1(C)C(=O)OCc1nn[n-]n1 ZINC001348975700 981491161 /nfs/dbraw/zinc/49/11/61/981491161.db2.gz JLIDEGXZPWIENK-UHFFFAOYSA-N -1 1 238.291 1.315 20 0 BDADMM CCCOC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001194150710 981579655 /nfs/dbraw/zinc/57/96/55/981579655.db2.gz WIJPCSQUMWGPQV-UHFFFAOYSA-N -1 1 237.255 1.711 20 0 BDADMM Cn1cnc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240694129 981599202 /nfs/dbraw/zinc/59/92/02/981599202.db2.gz NPLHCCKXJUUYPK-UHFFFAOYSA-N -1 1 244.229 1.875 20 0 BDADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001240716816 981734911 /nfs/dbraw/zinc/73/49/11/981734911.db2.gz CJFFQORUGLTYOR-UHFFFAOYSA-N -1 1 238.254 1.632 20 0 BDADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001240716816 981734933 /nfs/dbraw/zinc/73/49/33/981734933.db2.gz CJFFQORUGLTYOR-UHFFFAOYSA-N -1 1 238.254 1.632 20 0 BDADMM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(C(=O)[O-])co1 ZINC001594770913 981744082 /nfs/dbraw/zinc/74/40/82/981744082.db2.gz ZDRFGQICBCPCRC-SECBINFHSA-N -1 1 241.243 1.273 20 0 BDADMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC001594770913 981744085 /nfs/dbraw/zinc/74/40/85/981744085.db2.gz ZDRFGQICBCPCRC-SECBINFHSA-N -1 1 241.243 1.273 20 0 BDADMM [O-]c1ccc(-c2cc3c(nn2)OCCO3)cc1F ZINC001240782379 981818432 /nfs/dbraw/zinc/81/84/32/981818432.db2.gz YGFCJHJKSFQAPR-UHFFFAOYSA-N -1 1 248.213 1.760 20 0 BDADMM [O-]c1ccc(-c2ccc3nncn3n2)cc1F ZINC001240786703 981828159 /nfs/dbraw/zinc/82/81/59/981828159.db2.gz QHLOFSIZWQBZAI-UHFFFAOYSA-N -1 1 230.202 1.636 20 0 BDADMM O=C(c1cnncc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC001583707321 981833595 /nfs/dbraw/zinc/83/35/95/981833595.db2.gz JXNPCIVROVNWPJ-PSASIEDQSA-N -1 1 233.271 1.197 20 0 BDADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2C=CCC2)c1 ZINC001583912572 981840915 /nfs/dbraw/zinc/84/09/15/981840915.db2.gz RFFFKZQHUQHXCF-LLVKDONJSA-N -1 1 245.278 1.962 20 0 BDADMM O=C(CCn1ccnc1)[N-]Oc1ccc(F)cc1 ZINC001584003641 981850603 /nfs/dbraw/zinc/85/06/03/981850603.db2.gz AELHNRGJVSFXKU-UHFFFAOYSA-N -1 1 249.245 1.523 20 0 BDADMM O=C(Nc1cnoc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194770562 981895478 /nfs/dbraw/zinc/89/54/78/981895478.db2.gz JKBROPBTWHQWIZ-UHFFFAOYSA-N -1 1 246.148 1.669 20 0 BDADMM Cc1cc(C)cc(CC(=O)N(C)c2nn[n-]n2)c1 ZINC001350254140 981902116 /nfs/dbraw/zinc/90/21/16/981902116.db2.gz DNRFRXQYCFSDBK-UHFFFAOYSA-N -1 1 245.286 1.022 20 0 BDADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])cn2)o1 ZINC001587028098 982045238 /nfs/dbraw/zinc/04/52/38/982045238.db2.gz BRWKRPCYKWPUCN-UHFFFAOYSA-N -1 1 246.266 1.961 20 0 BDADMM CC[C@@H](C[C@H](C)O)NC(=O)c1ccc([O-])cn1 ZINC001587730848 982089635 /nfs/dbraw/zinc/08/96/35/982089635.db2.gz ITIRGFHCMKEETG-IUCAKERBSA-N -1 1 238.287 1.067 20 0 BDADMM Oc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241014948 982109922 /nfs/dbraw/zinc/10/99/22/982109922.db2.gz SRTPBMGGDVKDKV-UHFFFAOYSA-N -1 1 239.238 1.634 20 0 BDADMM Oc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241014948 982109929 /nfs/dbraw/zinc/10/99/29/982109929.db2.gz SRTPBMGGDVKDKV-UHFFFAOYSA-N -1 1 239.238 1.634 20 0 BDADMM Cc1ccc(-c2ncc(N)cn2)c([O-])c1 ZINC001241043181 982145706 /nfs/dbraw/zinc/14/57/06/982145706.db2.gz JDMZHOVBTCDZOT-UHFFFAOYSA-N -1 1 201.229 1.740 20 0 BDADMM C1=C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001588386807 982159241 /nfs/dbraw/zinc/15/92/41/982159241.db2.gz BSLHXMRQNIEZGV-QMMMGPOBSA-N -1 1 243.274 1.177 20 0 BDADMM C1=C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001588386807 982159248 /nfs/dbraw/zinc/15/92/48/982159248.db2.gz BSLHXMRQNIEZGV-QMMMGPOBSA-N -1 1 243.274 1.177 20 0 BDADMM Cc1ccc([O-])c(C(=O)N2C3CCC2CC3)n1 ZINC001195326110 982178296 /nfs/dbraw/zinc/17/82/96/982178296.db2.gz MEFCRKLQUNTQDY-UHFFFAOYSA-N -1 1 232.283 1.863 20 0 BDADMM Nc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241072443 982190126 /nfs/dbraw/zinc/19/01/26/982190126.db2.gz LXGGTZVQKDXNLB-UHFFFAOYSA-N -1 1 238.254 1.511 20 0 BDADMM Nc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241072443 982190132 /nfs/dbraw/zinc/19/01/32/982190132.db2.gz LXGGTZVQKDXNLB-UHFFFAOYSA-N -1 1 238.254 1.511 20 0 BDADMM Cn1nc(-c2c(F)cc([O-])cc2F)ccc1=O ZINC001241122039 982250429 /nfs/dbraw/zinc/25/04/29/982250429.db2.gz JQOLULCZLUXRPQ-UHFFFAOYSA-N -1 1 238.193 1.431 20 0 BDADMM CC(C)[C@H](C)NC(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196009009 982383826 /nfs/dbraw/zinc/38/38/26/982383826.db2.gz QSKLELHYNWTYIG-LURJTMIESA-N -1 1 241.316 1.245 20 0 BDADMM COc1cnc(-c2cc([O-])cc(F)c2)nc1 ZINC001241257435 982395262 /nfs/dbraw/zinc/39/52/62/982395262.db2.gz KIUKWKRFDYTRFP-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM C[C@@H](CN(C)Cc1ccncc1F)C(=O)[O-] ZINC001589034349 982587472 /nfs/dbraw/zinc/58/74/72/982587472.db2.gz YOKAWVXDYXKRAA-QMMMGPOBSA-N -1 1 226.251 1.373 20 0 BDADMM CC1(C)C[C@H]1c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001589220431 982669179 /nfs/dbraw/zinc/66/91/79/982669179.db2.gz VHGWHKJUHIUZSK-WDSKDSINSA-N -1 1 225.248 1.058 20 0 BDADMM CC1=C[C@@H](C)CN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC001589257154 982679751 /nfs/dbraw/zinc/67/97/51/982679751.db2.gz YGBNPKZHTUQIHB-SECBINFHSA-N -1 1 249.314 1.516 20 0 BDADMM CC(C)=CCNc1cccnc1-c1nnn[n-]1 ZINC001589379128 982746577 /nfs/dbraw/zinc/74/65/77/982746577.db2.gz CZQAVGFLISPAIK-UHFFFAOYSA-N -1 1 230.275 1.640 20 0 BDADMM CC(C)=CCNc1cccnc1-c1nn[n-]n1 ZINC001589379128 982746585 /nfs/dbraw/zinc/74/65/85/982746585.db2.gz CZQAVGFLISPAIK-UHFFFAOYSA-N -1 1 230.275 1.640 20 0 BDADMM CC(C)=CCCOc1cccnc1-c1nnn[n-]1 ZINC001589377489 982749482 /nfs/dbraw/zinc/74/94/82/982749482.db2.gz QJRVJKYKENUVCX-UHFFFAOYSA-N -1 1 245.286 1.997 20 0 BDADMM CC(C)=CCCOc1cccnc1-c1nn[n-]n1 ZINC001589377489 982749494 /nfs/dbraw/zinc/74/94/94/982749494.db2.gz QJRVJKYKENUVCX-UHFFFAOYSA-N -1 1 245.286 1.997 20 0 BDADMM C=CS(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001198566380 982755290 /nfs/dbraw/zinc/75/52/90/982755290.db2.gz GRZVUYFQBRJBLF-UHFFFAOYSA-N -1 1 227.241 1.301 20 0 BDADMM CC(C)OC1CC(n2ccnc2-c2nnn[n-]2)C1 ZINC001589739019 982879464 /nfs/dbraw/zinc/87/94/64/982879464.db2.gz CUPBYGWFOOSKCX-UHFFFAOYSA-N -1 1 248.290 1.192 20 0 BDADMM CC(C)OC1CC(n2ccnc2-c2nn[n-]n2)C1 ZINC001589739019 982879468 /nfs/dbraw/zinc/87/94/68/982879468.db2.gz CUPBYGWFOOSKCX-UHFFFAOYSA-N -1 1 248.290 1.192 20 0 BDADMM CC(C)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589736400 982879984 /nfs/dbraw/zinc/87/99/84/982879984.db2.gz WUKVYWWOPBTPBV-UHFFFAOYSA-N -1 1 222.204 1.025 20 0 BDADMM CC(C)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589736400 982879989 /nfs/dbraw/zinc/87/99/89/982879989.db2.gz WUKVYWWOPBTPBV-UHFFFAOYSA-N -1 1 222.204 1.025 20 0 BDADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589985828 982888930 /nfs/dbraw/zinc/88/89/30/982888930.db2.gz RPDCANILEXYAMO-QMMMGPOBSA-N -1 1 244.302 1.284 20 0 BDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589985828 982888935 /nfs/dbraw/zinc/88/89/35/982888935.db2.gz RPDCANILEXYAMO-QMMMGPOBSA-N -1 1 244.302 1.284 20 0 BDADMM CC1(C)C[C@]1(C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590085686 982893362 /nfs/dbraw/zinc/89/33/62/982893362.db2.gz DFWFJBYJOXNJMM-NSHDSACASA-N -1 1 245.290 1.257 20 0 BDADMM CC1(C)C[C@]1(C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590085686 982893366 /nfs/dbraw/zinc/89/33/66/982893366.db2.gz DFWFJBYJOXNJMM-NSHDSACASA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590274242 982926984 /nfs/dbraw/zinc/92/69/84/982926984.db2.gz HDOOADDGMMOWFF-MRVPVSSYSA-N -1 1 230.275 1.108 20 0 BDADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590274242 982927001 /nfs/dbraw/zinc/92/70/01/982927001.db2.gz HDOOADDGMMOWFF-MRVPVSSYSA-N -1 1 230.275 1.108 20 0 BDADMM CC(C)n1ccnc1C(=O)Nc1ncccc1[O-] ZINC001199411884 982928942 /nfs/dbraw/zinc/92/89/42/982928942.db2.gz FOPUJCXGUYFIDN-UHFFFAOYSA-N -1 1 246.270 1.817 20 0 BDADMM CCC1(CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590496609 982953767 /nfs/dbraw/zinc/95/37/67/982953767.db2.gz RGXHWRPANNASJR-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM CCC1(CNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590496609 982953777 /nfs/dbraw/zinc/95/37/77/982953777.db2.gz RGXHWRPANNASJR-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM CCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590599236 982962928 /nfs/dbraw/zinc/96/29/28/982962928.db2.gz UEVYAWFAGAFLDF-UHFFFAOYSA-N -1 1 249.274 1.380 20 0 BDADMM CCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590599236 982962935 /nfs/dbraw/zinc/96/29/35/982962935.db2.gz UEVYAWFAGAFLDF-UHFFFAOYSA-N -1 1 249.274 1.380 20 0 BDADMM CCCCCOc1cccnc1-c1nnn[n-]1 ZINC001590597063 982966486 /nfs/dbraw/zinc/96/64/86/982966486.db2.gz DOJNHKUQVUVDIH-UHFFFAOYSA-N -1 1 233.275 1.831 20 0 BDADMM CCCCCOc1cccnc1-c1nn[n-]n1 ZINC001590597063 982966495 /nfs/dbraw/zinc/96/64/95/982966495.db2.gz DOJNHKUQVUVDIH-UHFFFAOYSA-N -1 1 233.275 1.831 20 0 BDADMM O=C([O-])c1cncc(-c2nccc3[nH]cnc32)c1 ZINC001241796689 983053084 /nfs/dbraw/zinc/05/30/84/983053084.db2.gz AGUYNVGTBPOFDK-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM C[C@]1(C(=O)[O-])CCN(Cc2cc3n(n2)CCC3)C1 ZINC001353897524 983058806 /nfs/dbraw/zinc/05/88/06/983058806.db2.gz UVFWZUYEZHDMSW-ZDUSSCGKSA-N -1 1 249.314 1.126 20 0 BDADMM O=C([O-])CCN(Cc1cc2n(n1)CCC2)C1CC1 ZINC001353916684 983078257 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20 0 BDADMM C[C@@H]1CCc2[n-]n(-c3cnn(C)c3)c(=O)c21 ZINC000634623284 343027074 /nfs/dbraw/zinc/02/70/74/343027074.db2.gz BRHYMXULXILIRT-XCBNKYQSSA-N -1 1 218.260 1.169 20 0 BDADMM C[C@H](CO)n1[n-]c2c(c1=O)CCCCC2 ZINC000634617303 343013621 /nfs/dbraw/zinc/01/36/21/343013621.db2.gz LCYFNLVSOBUYKN-RKDXNWHRSA-N -1 1 210.277 1.146 20 0 BDADMM CCCc1c(C)[n-]n(CCCOC)c1=O ZINC000634625925 343030686 /nfs/dbraw/zinc/03/06/86/343030686.db2.gz RHKKDFJMUTZCQF-JTQLQIEISA-N -1 1 212.293 1.657 20 0 BDADMM C[C@@H]1CCc2[n-]n([C@@H]3CCC[C@H]3O)c(=O)c2C1 ZINC000634633189 343044948 /nfs/dbraw/zinc/04/49/48/343044948.db2.gz MZKNITBRNJRNQU-RBLKWDMZSA-N -1 1 236.315 1.534 20 0 BDADMM Cc1c(=O)n(CC(C)(C)O)[n-]c1-c1ccccc1 ZINC000634634867 343049020 /nfs/dbraw/zinc/04/90/20/343049020.db2.gz MVZUDNZDMBMGNN-SNVBAGLBSA-N -1 1 246.310 1.640 20 0 BDADMM CC[C@H](F)C[N@H+]1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000576830166 365697220 /nfs/dbraw/zinc/69/72/20/365697220.db2.gz BDPSQSBAGNUWGT-AEJSXWLSSA-N -1 1 233.283 1.299 20 0 BDADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@@H](C)O ZINC000387124707 343182746 /nfs/dbraw/zinc/18/27/46/343182746.db2.gz KZTDVJKEERVVMZ-GMSGAONNSA-N -1 1 241.262 1.421 20 0 BDADMM O=C(NCCCC1CC1)c1ncccc1[O-] ZINC000125129103 343165502 /nfs/dbraw/zinc/16/55/02/343165502.db2.gz WKUALVQVNQPQJU-UHFFFAOYSA-N -1 1 220.272 1.707 20 0 BDADMM Cc1cccc(C)c1CN1CCO[C@H](C(=O)[O-])C1 ZINC000149338505 343196395 /nfs/dbraw/zinc/19/63/95/343196395.db2.gz KLNCYNDYKQRQQQ-ZDUSSCGKSA-N -1 1 249.310 1.589 20 0 BDADMM CCc1nocc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000616519685 343488087 /nfs/dbraw/zinc/48/80/87/343488087.db2.gz UCKMGCKKESFZHH-UHFFFAOYSA-N -1 1 249.274 1.662 20 0 BDADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cscn1 ZINC000622749074 343610182 /nfs/dbraw/zinc/61/01/82/343610182.db2.gz SDRXJGQJRZIFEJ-SSDOTTSWSA-N -1 1 249.295 1.735 20 0 BDADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2nn[n-]n2)C1(C)C ZINC000600497220 344246872 /nfs/dbraw/zinc/24/68/72/344246872.db2.gz ZMOQWLDIGVJCKS-WPRPVWTQSA-N -1 1 249.318 1.054 20 0 BDADMM O=c1[n-]c(-c2nc[nH]n2)nc2ccc(Cl)cc12 ZINC000119794860 344549876 /nfs/dbraw/zinc/54/98/76/344549876.db2.gz NKHACUKNVLCLFY-UHFFFAOYSA-N -1 1 247.645 1.362 20 0 BDADMM CS[C@H](C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000590399228 347082154 /nfs/dbraw/zinc/08/21/54/347082154.db2.gz XOCVTFHVFYXUDH-RXMQYKEDSA-N -1 1 215.278 1.114 20 0 BDADMM C[C@H]1OCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000235596201 344950783 /nfs/dbraw/zinc/95/07/83/344950783.db2.gz XMPHCDQYIRNHCW-RITPCOANSA-N -1 1 211.183 1.090 20 0 BDADMM O=C(CCCc1nn[n-]n1)Nc1cccc(F)c1 ZINC000635060300 345230954 /nfs/dbraw/zinc/23/09/54/345230954.db2.gz CTZJSVROCAVXBJ-UHFFFAOYSA-N -1 1 249.249 1.300 20 0 BDADMM c1ccc2oc(SCc3nn[n-]n3)nc2c1 ZINC000095251099 345685096 /nfs/dbraw/zinc/68/50/96/345685096.db2.gz ZLCXCFZVPCXXII-UHFFFAOYSA-N -1 1 233.256 1.633 20 0 BDADMM Cc1cccc(C(=O)Nc2nnn[n-]2)c1Cl ZINC000122612925 179025773 /nfs/dbraw/zinc/02/57/73/179025773.db2.gz ZKJIQMOBPULYJL-UHFFFAOYSA-N -1 1 237.650 1.414 20 0 BDADMM Cc1cccc(C(=O)Nc2nn[n-]n2)c1Cl ZINC000122612925 179025775 /nfs/dbraw/zinc/02/57/75/179025775.db2.gz ZKJIQMOBPULYJL-UHFFFAOYSA-N -1 1 237.650 1.414 20 0 BDADMM CCCN(C(=O)CCCc1nn[n-]n1)C(C)C ZINC000636147343 346333190 /nfs/dbraw/zinc/33/31/90/346333190.db2.gz VIRBGLYRSLULRT-UHFFFAOYSA-N -1 1 239.323 1.169 20 0 BDADMM Cc1cnc(C(=O)N2OC3CCC2CC3)c([O-])c1 ZINC000636405666 346481209 /nfs/dbraw/zinc/48/12/09/346481209.db2.gz LHJJNESLAQMQKG-UHFFFAOYSA-N -1 1 248.282 1.794 20 0 BDADMM CCCN(C)Cc1nc(C(=O)[O-])cs1 ZINC000378655157 346797557 /nfs/dbraw/zinc/79/75/57/346797557.db2.gz ACLWUUNEJFWKOW-UHFFFAOYSA-N -1 1 214.290 1.683 20 0 BDADMM C[N@@H+](Cc1csc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000571171875 323137380 /nfs/dbraw/zinc/13/73/80/323137380.db2.gz BTGGLDDIWJYJEF-VIFPVBQESA-N -1 1 241.312 1.667 20 0 BDADMM CN(Cc1csc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000571171875 323137381 /nfs/dbraw/zinc/13/73/81/323137381.db2.gz BTGGLDDIWJYJEF-VIFPVBQESA-N -1 1 241.312 1.667 20 0 BDADMM c1coc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000095177849 347430264 /nfs/dbraw/zinc/43/02/64/347430264.db2.gz LIPLJZOKIKYTEP-UHFFFAOYSA-N -1 1 233.275 1.352 20 0 BDADMM CS[C@@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000590566237 347469474 /nfs/dbraw/zinc/46/94/74/347469474.db2.gz WDPCLACMXVLNOP-YFKPBYRVSA-N -1 1 229.305 1.504 20 0 BDADMM CCN(CCSC)C(=O)c1ncccc1[O-] ZINC000592916515 347832769 /nfs/dbraw/zinc/83/27/69/347832769.db2.gz CUBQFUSBHHETFB-UHFFFAOYSA-N -1 1 240.328 1.612 20 0 BDADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cnn1C ZINC000176942020 365931925 /nfs/dbraw/zinc/93/19/25/365931925.db2.gz FRJLETXPPRPXTH-UHFFFAOYSA-N -1 1 249.245 1.826 20 0 BDADMM CCCC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000205328787 348491397 /nfs/dbraw/zinc/49/13/97/348491397.db2.gz XRMHABMSDZCCBM-UHFFFAOYSA-N -1 1 242.300 1.658 20 0 BDADMM CCOC(=O)Cn1[n-]c(C(C)C)c(CC)c1=O ZINC000601956094 349399370 /nfs/dbraw/zinc/39/93/70/349399370.db2.gz YBPFQBKUFLOXNI-VIFPVBQESA-N -1 1 240.303 1.430 20 0 BDADMM Cc1nc([N-]C(=O)c2cc(C3CC3)no2)n[nH]1 ZINC000282248350 180014051 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CC(C)[C@@H](CN[C@H](C)c1ncco1)C(=O)[O-] ZINC001603247151 979407440 /nfs/dbraw/zinc/40/74/40/979407440.db2.gz IQZWYTQJWPWYMW-RKDXNWHRSA-N -1 1 226.276 1.682 20 0 BDADMM CC1(NCc2cccc(C(=O)[O-])c2)COC1 ZINC001603347413 979439388 /nfs/dbraw/zinc/43/93/88/979439388.db2.gz GUMRZJUPAMDZRB-UHFFFAOYSA-N -1 1 221.256 1.263 20 0 BDADMM CC(F)(F)CCCn1ccnc1-c1nnn[n-]1 ZINC001603595855 979486314 /nfs/dbraw/zinc/48/63/14/979486314.db2.gz YLWUKOBUPUWENM-UHFFFAOYSA-N -1 1 242.233 1.499 20 0 BDADMM CC(F)(F)CCCn1ccnc1-c1nn[n-]n1 ZINC001603595855 979486319 /nfs/dbraw/zinc/48/63/19/979486319.db2.gz YLWUKOBUPUWENM-UHFFFAOYSA-N -1 1 242.233 1.499 20 0 BDADMM CC1=CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001603828931 979531073 /nfs/dbraw/zinc/53/10/73/979531073.db2.gz WPAZXXWYOAJQQH-UHFFFAOYSA-N -1 1 242.286 1.418 20 0 BDADMM CC1=CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001603828931 979531079 /nfs/dbraw/zinc/53/10/79/979531079.db2.gz WPAZXXWYOAJQQH-UHFFFAOYSA-N -1 1 242.286 1.418 20 0 BDADMM C[C@H]1CCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001603890688 979539851 /nfs/dbraw/zinc/53/98/51/979539851.db2.gz DKBGITMWYXDLFQ-YUMQZZPRSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@H]1CCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001603890688 979539859 /nfs/dbraw/zinc/53/98/59/979539859.db2.gz DKBGITMWYXDLFQ-YUMQZZPRSA-N -1 1 245.290 1.257 20 0 BDADMM CC[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001604001658 979555572 /nfs/dbraw/zinc/55/55/72/979555572.db2.gz XVZRNXRNISNGEM-YUMQZZPRSA-N -1 1 247.306 1.503 20 0 BDADMM CC[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001604001658 979555583 /nfs/dbraw/zinc/55/55/83/979555583.db2.gz XVZRNXRNISNGEM-YUMQZZPRSA-N -1 1 247.306 1.503 20 0 BDADMM Cc1ccc(F)c(-c2cnc(C(N)=O)cn2)c1[O-] ZINC001236388926 979576153 /nfs/dbraw/zinc/57/61/53/979576153.db2.gz BBNVDMNOBCZJMD-UHFFFAOYSA-N -1 1 247.229 1.396 20 0 BDADMM CC1(C(=O)[O-])CN(Cc2cnc3ccccn23)C1 ZINC001604502659 979668456 /nfs/dbraw/zinc/66/84/56/979668456.db2.gz IKQDADFGCSNOTN-UHFFFAOYSA-N -1 1 245.282 1.241 20 0 BDADMM CSc1nc(NC(=O)CC(F)F)cc(=O)[n-]1 ZINC001182960549 979676408 /nfs/dbraw/zinc/67/64/08/979676408.db2.gz AOAGGANLFVMRQM-UHFFFAOYSA-N -1 1 249.242 1.498 20 0 BDADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccon1 ZINC001604653760 979693320 /nfs/dbraw/zinc/69/33/20/979693320.db2.gz VWIHXMMWDBIRDH-RKDXNWHRSA-N -1 1 238.287 1.748 20 0 BDADMM CC[C@@H](C)[C@H](NCc1ccco1)C(=O)[O-] ZINC001604947682 979781152 /nfs/dbraw/zinc/78/11/52/979781152.db2.gz SCSLLONQAZWECE-SCZZXKLOSA-N -1 1 211.261 1.869 20 0 BDADMM Cc1cccc(C(=O)Nc2c[n-][nH]c2=O)c1O ZINC001183549589 979840935 /nfs/dbraw/zinc/84/09/35/979840935.db2.gz BGCLLPRLQQBKQI-UHFFFAOYSA-N -1 1 233.227 1.382 20 0 BDADMM CCN(CC(=O)[O-])Cc1ccncc1F ZINC001605417382 979870782 /nfs/dbraw/zinc/87/07/82/979870782.db2.gz QXGIRXNXAVFJOE-UHFFFAOYSA-N -1 1 212.224 1.127 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC2)c1 ZINC001605561071 979889837 /nfs/dbraw/zinc/88/98/37/979889837.db2.gz RJJLFYPYFNDTET-UHFFFAOYSA-N -1 1 230.275 1.170 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC2)c1 ZINC001605561071 979889839 /nfs/dbraw/zinc/88/98/39/979889839.db2.gz RJJLFYPYFNDTET-UHFFFAOYSA-N -1 1 230.275 1.170 20 0 BDADMM Cn1nc(C(=O)[O-])cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC001605538921 979891003 /nfs/dbraw/zinc/89/10/03/979891003.db2.gz KTMKZRDRLQEKNE-CABZTGNLSA-N -1 1 249.314 1.493 20 0 BDADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(C)C)n1 ZINC001605572583 979892881 /nfs/dbraw/zinc/89/28/81/979892881.db2.gz HWHODHMMTOSKKL-UHFFFAOYSA-N -1 1 247.306 1.423 20 0 BDADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)C)n1 ZINC001605572583 979892883 /nfs/dbraw/zinc/89/28/83/979892883.db2.gz HWHODHMMTOSKKL-UHFFFAOYSA-N -1 1 247.306 1.423 20 0 BDADMM Cc1cc(NCC2CC2)nc(-c2nnn[n-]2)c1 ZINC001605731907 979912889 /nfs/dbraw/zinc/91/28/89/979912889.db2.gz QSQWTEKCGGJLKR-UHFFFAOYSA-N -1 1 230.275 1.392 20 0 BDADMM Cc1cc(NCC2CC2)nc(-c2nn[n-]n2)c1 ZINC001605731907 979912896 /nfs/dbraw/zinc/91/28/96/979912896.db2.gz QSQWTEKCGGJLKR-UHFFFAOYSA-N -1 1 230.275 1.392 20 0 BDADMM 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Cc1[nH+]c(NCCCC(=O)[O-])ccc1C(=O)[O-] ZINC001607965690 980147857 /nfs/dbraw/zinc/14/78/57/980147857.db2.gz DWQNYCATEHFDDD-UHFFFAOYSA-N -1 1 238.243 1.365 20 0 BDADMM Cc1nnc([C@@H](C)N[C@H](CC(=O)[O-])C2CC2)o1 ZINC001608013399 980150347 /nfs/dbraw/zinc/15/03/47/980150347.db2.gz QIHAQQQRSZWAKC-HZGVNTEJSA-N -1 1 239.275 1.282 20 0 BDADMM Cc1noc([C@H](C)N[C@@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001608021128 980153321 /nfs/dbraw/zinc/15/33/21/980153321.db2.gz JSKBKTIGZWYRRW-NBEYISGCSA-N -1 1 239.275 1.282 20 0 BDADMM O=C([O-])[C@H](NCc1ccno1)C1CCCCC1 ZINC001608550795 980230564 /nfs/dbraw/zinc/23/05/64/980230564.db2.gz BYSRRIZKQBWXCN-LLVKDONJSA-N -1 1 238.287 1.798 20 0 BDADMM O=C(Nc1c[nH]cn1)c1ccc([O-])cc1F ZINC001186317985 980360929 /nfs/dbraw/zinc/36/09/29/980360929.db2.gz ATIAIPKUNNEHSX-UHFFFAOYSA-N -1 1 221.191 1.507 20 0 BDADMM O=S(=O)([N-][C@H]1C[C@@H](F)C1)c1ccco1 ZINC001186869779 980447634 /nfs/dbraw/zinc/44/76/34/980447634.db2.gz VOEMDAFLCYTCPS-KNVOCYPGSA-N -1 1 219.237 1.058 20 0 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226.276 1.765 20 0 BDADMM CCC(=O)[C@H](CC)Oc1cnc[n-]c1=O ZINC001227048883 975237765 /nfs/dbraw/zinc/23/77/65/975237765.db2.gz MZUVREIKBBRXSD-QMMMGPOBSA-N -1 1 210.233 1.319 20 0 BDADMM O=c1[nH]c2[n-]c(OC3CCCC3)nc2c(=O)[nH]1 ZINC001227431613 975409440 /nfs/dbraw/zinc/40/94/40/975409440.db2.gz XAECWQWCNXCDID-UHFFFAOYSA-N -1 1 236.231 1.086 20 0 BDADMM O=c1[nH]c2[n-]c(O[C@H]3C=CCCC3)nc2c(=O)[nH]1 ZINC001227431816 975410541 /nfs/dbraw/zinc/41/05/41/975410541.db2.gz ZCCSDICNAVYRQX-LURJTMIESA-N -1 1 248.242 1.252 20 0 BDADMM CC[C@@H](C)C[C@@H](CC)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227571483 975562800 /nfs/dbraw/zinc/56/28/00/975562800.db2.gz UUMZNZHTKLVUND-HTQZYQBOSA-N -1 1 241.291 1.876 20 0 BDADMM CCC[C@@H](C)[C@@H](CC)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227571684 975564785 /nfs/dbraw/zinc/56/47/85/975564785.db2.gz XZVYDPIADHMKCW-HTQZYQBOSA-N -1 1 241.291 1.876 20 0 BDADMM CC(=O)Nc1cccc([N-]c2nnco2)c1 ZINC001173828325 975846855 /nfs/dbraw/zinc/84/68/55/975846855.db2.gz ISIXCZULWPPRAF-UHFFFAOYSA-N 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BDADMM S=c1nncc(OC[C@H]2CCCCO2)[n-]1 ZINC001228641309 976400513 /nfs/dbraw/zinc/40/05/13/976400513.db2.gz CLQBWQUZXVMQCF-SSDOTTSWSA-N -1 1 227.289 1.108 20 0 BDADMM CCC(=O)[C@@H](CC)Oc1cnnc(=S)[n-]1 ZINC001228641837 976405640 /nfs/dbraw/zinc/40/56/40/976405640.db2.gz JQFQOFYDMMVZLF-SSDOTTSWSA-N -1 1 227.289 1.297 20 0 BDADMM c1cnn(-c2cccc([N-]c3nnco3)c2)c1 ZINC001174299167 976487874 /nfs/dbraw/zinc/48/78/74/976487874.db2.gz FDDUGGIIPMTZJN-UHFFFAOYSA-N -1 1 227.227 1.999 20 0 BDADMM O=C([O-])CC1(NCc2cc3n(n2)CCCC3)CC1 ZINC001334766407 976631696 /nfs/dbraw/zinc/63/16/96/976631696.db2.gz AMRRLNBKDMIRSA-UHFFFAOYSA-N -1 1 249.314 1.316 20 0 BDADMM C(OC[C@H]1CC2CCC1CC2)c1nn[n-]n1 ZINC001334806843 976694886 /nfs/dbraw/zinc/69/48/86/976694886.db2.gz TWNPTSWUWHUIMN-UDNWOFFPSA-N -1 1 222.292 1.543 20 0 BDADMM C[C@H](Oc1[nH]c(=O)[nH]c(=O)c1F)C1=CC=C[CH]1 ZINC001229123613 976764452 /nfs/dbraw/zinc/76/44/52/976764452.db2.gz FVUJUCDVYGBBFK-LURJTMIESA-N -1 1 237.210 1.495 20 0 BDADMM CCNC(=O)Nc1ccc([N-]c2nnco2)cc1 ZINC001174519951 976840757 /nfs/dbraw/zinc/84/07/57/976840757.db2.gz ZPTCIGGPOVXRAD-UHFFFAOYSA-N -1 1 247.258 1.955 20 0 BDADMM C=CNc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001174792270 977036660 /nfs/dbraw/zinc/03/66/60/977036660.db2.gz WWDNDCLMTKKLIE-UHFFFAOYSA-N -1 1 242.256 1.214 20 0 BDADMM Cc1cncc(Nc2c(N)[nH]c(=S)[n-]c2=O)c1 ZINC001174752611 977049996 /nfs/dbraw/zinc/04/99/96/977049996.db2.gz BMMXLPWIBHRNQC-UHFFFAOYSA-N -1 1 249.299 1.500 20 0 BDADMM COc1c(=O)[n-]c(C)nc1O[C@@H]1C=CCCC1 ZINC001230021310 977078723 /nfs/dbraw/zinc/07/87/23/977078723.db2.gz MBIMUPDZIKPMMC-SECBINFHSA-N -1 1 236.271 1.987 20 0 BDADMM Cc1ncn(-c2ccc(C(=O)[O-])s2)c1N ZINC001174808497 977105514 /nfs/dbraw/zinc/10/55/14/977105514.db2.gz USVJTYRHYUOYKC-UHFFFAOYSA-N -1 1 223.257 1.523 20 0 BDADMM COC(=O)c1c[n-]c(OC2CCCCC2)n1 ZINC001230280362 977157073 /nfs/dbraw/zinc/15/70/73/977157073.db2.gz RFZQTBWTJGCOAC-UHFFFAOYSA-N -1 1 224.260 1.908 20 0 BDADMM CCCOC[C@H](C)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282811 977157777 /nfs/dbraw/zinc/15/77/77/977157777.db2.gz ZATBLFKJBBVRPZ-QMMMGPOBSA-N -1 1 242.275 1.390 20 0 BDADMM COC(=O)c1c[n-]c(O[C@@H]2CCCC[C@H]2F)n1 ZINC001230281803 977161089 /nfs/dbraw/zinc/16/10/89/977161089.db2.gz HWGDHKWJNRKCNG-VXNVDRBHSA-N -1 1 242.250 1.856 20 0 BDADMM Nc1cn(-c2c(F)cc([O-])cc2F)ccc1=O ZINC001175095267 977271282 /nfs/dbraw/zinc/27/12/82/977271282.db2.gz FOQZTMRZWBOVSS-UHFFFAOYSA-N -1 1 238.193 1.404 20 0 BDADMM CC(C)N(CC1CCC1)C(=O)c1cnncc1[O-] ZINC001335873287 977342225 /nfs/dbraw/zinc/34/22/25/977342225.db2.gz BVKMUNKRXRBYPP-UHFFFAOYSA-N -1 1 249.314 1.833 20 0 BDADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnncc1[O-] ZINC001336174253 977554769 /nfs/dbraw/zinc/55/47/69/977554769.db2.gz DEOAGGBFQGLLAD-ONGXEEELSA-N -1 1 249.314 1.833 20 0 BDADMM O=C(c1ncccc1[O-])N1CCC[C@H]1C(F)F ZINC001336272847 977609979 /nfs/dbraw/zinc/60/99/79/977609979.db2.gz DVRDRFNDHGJDCK-ZETCQYMHSA-N -1 1 242.225 1.657 20 0 BDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CCF 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XLLPTIHWZNEDKV-UHFFFAOYSA-N -1 1 226.301 1.630 20 0 BDADMM C=C(F)C(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001180110975 978819488 /nfs/dbraw/zinc/81/94/88/978819488.db2.gz HFNJQHYXLDYWEM-UHFFFAOYSA-N -1 1 229.236 1.326 20 0 BDADMM O=C([O-])[C@H](CF)NCc1ccc(F)c(F)c1 ZINC001601650722 978822008 /nfs/dbraw/zinc/82/20/08/978822008.db2.gz QQOWZEZMQUXGNP-VIFPVBQESA-N -1 1 233.189 1.477 20 0 BDADMM O=C([O-])CC1(NCc2ncccc2F)CC1 ZINC001601936941 978869563 /nfs/dbraw/zinc/86/95/63/978869563.db2.gz ARDGPQQOHWVBGZ-UHFFFAOYSA-N -1 1 224.235 1.318 20 0 BDADMM Cc1cccc(C(=O)N(C)c2nn[n-]n2)c1C ZINC001339647317 978886232 /nfs/dbraw/zinc/88/62/32/978886232.db2.gz QSZPDGGYVZIEHF-UHFFFAOYSA-N -1 1 231.259 1.093 20 0 BDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cnc(C4CC4)o3)C[C@@H]21 ZINC001602207016 979086967 /nfs/dbraw/zinc/08/69/67/979086967.db2.gz NUYCAOCGTPQPSU-URLYPYJESA-N -1 1 248.282 1.314 20 0 BDADMM O=C([O-])c1cc(CN2CC[C@H]2CO)cs1 ZINC001602255720 979098695 /nfs/dbraw/zinc/09/86/95/979098695.db2.gz NTKBVXWEVWXFQU-QMMMGPOBSA-N -1 1 227.285 1.013 20 0 BDADMM O=C([O-])c1cc(F)ccc1CN1CC[C@H]1CO ZINC001602274832 979100814 /nfs/dbraw/zinc/10/08/14/979100814.db2.gz JDLJEIPEOBPPIG-JTQLQIEISA-N -1 1 239.246 1.091 20 0 BDADMM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001602336555 979107255 /nfs/dbraw/zinc/10/72/55/979107255.db2.gz ZBEPTXJRSNLELP-LLVKDONJSA-N -1 1 249.266 1.291 20 0 BDADMM C/C(=C\c1nc([C@@H](N)CC(=O)[O-])no1)C1CC1 ZINC001602737153 979211136 /nfs/dbraw/zinc/21/11/36/979211136.db2.gz JWRRHSPVHNBTIC-JQTRYQTASA-N -1 1 237.259 1.357 20 0 BDADMM C1=C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602746216 979212504 /nfs/dbraw/zinc/21/25/04/979212504.db2.gz JVVJIWQOOBOCJH-MRVPVSSYSA-N -1 1 243.274 1.035 20 0 BDADMM C1=C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602746216 979212517 /nfs/dbraw/zinc/21/25/17/979212517.db2.gz JVVJIWQOOBOCJH-MRVPVSSYSA-N -1 1 243.274 1.035 20 0 BDADMM C[C@H](CN(C)Cc1cnc(Cl)cn1)C(=O)[O-] ZINC001603155937 979391258 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979546759 /nfs/dbraw/zinc/54/67/59/979546759.db2.gz OHPDPQAXWCHLIT-ZETCQYMHSA-N -1 1 245.710 1.335 20 0 BDADMM C[C@@](CC(=O)[O-])(NCc1nncs1)C1CC1 ZINC001604089645 979569673 /nfs/dbraw/zinc/56/96/73/979569673.db2.gz GRCFTEOJMVAACT-JTQLQIEISA-N -1 1 241.316 1.271 20 0 BDADMM Cc1ccc(F)c(-c2cn3ncnc3cn2)c1[O-] ZINC001236402592 979579252 /nfs/dbraw/zinc/57/92/52/979579252.db2.gz CGNHTSPIWAWDIG-UHFFFAOYSA-N -1 1 244.229 1.944 20 0 BDADMM C[C@@H](N[C@H](CO)CCF)c1cc(C(=O)[O-])co1 ZINC001604327005 979619011 /nfs/dbraw/zinc/61/90/11/979619011.db2.gz VVFPFYVHIJHNIA-APPZFPTMSA-N -1 1 245.250 1.349 20 0 BDADMM CCOCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001604434400 979644497 /nfs/dbraw/zinc/64/44/97/979644497.db2.gz XBUUSFFWADNLDD-UHFFFAOYSA-N -1 1 248.290 1.019 20 0 BDADMM CCOCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001604434400 979644505 /nfs/dbraw/zinc/64/45/05/979644505.db2.gz XBUUSFFWADNLDD-UHFFFAOYSA-N -1 1 248.290 1.019 20 0 BDADMM CCc1nnc(-c2ccc(-c3nnn[n-]3)s2)o1 ZINC001604579788 979680202 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979829000 /nfs/dbraw/zinc/82/90/00/979829000.db2.gz DDNFUQKEBHHNTH-UHFFFAOYSA-N -1 1 239.662 1.002 20 0 BDADMM O=C(CCc1ccncc1)Nc1c[n-][nH]c1=O ZINC001183562621 979845420 /nfs/dbraw/zinc/84/54/20/979845420.db2.gz LGIPVWGAGPHXCU-UHFFFAOYSA-N -1 1 232.243 1.082 20 0 BDADMM CC[C@@H]1CC[C@@H](C(=O)Nc2c[n-][nH]c2=O)O1 ZINC001183563003 979846188 /nfs/dbraw/zinc/84/61/88/979846188.db2.gz NXYOSLMSHVBAKH-SVRRBLITSA-N -1 1 225.248 1.011 20 0 BDADMM CCC[N@@H+](CCC(C)(C)C(=O)[O-])CC(=O)[O-] ZINC001605315954 979854325 /nfs/dbraw/zinc/85/43/25/979854325.db2.gz WZVDMJZXLICMCQ-UHFFFAOYSA-N -1 1 231.292 1.284 20 0 BDADMM CCOc1ccccc1CN[C@H](CF)C(=O)[O-] ZINC001605714091 979907216 /nfs/dbraw/zinc/90/72/16/979907216.db2.gz DULZTGXLTGIOMM-SNVBAGLBSA-N -1 1 241.262 1.598 20 0 BDADMM Cc1cc(NCC(C)C)nc(-c2nnn[n-]2)c1 ZINC001605727167 979912760 /nfs/dbraw/zinc/91/27/60/979912760.db2.gz RTMIBBSUPUYTAJ-UHFFFAOYSA-N -1 1 232.291 1.638 20 0 BDADMM Cc1cc(NCC(C)C)nc(-c2nn[n-]n2)c1 ZINC001605727167 979912766 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231.273 1.200 20 0 BDADMM CC[C@@H]1COCCN1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595500917 981275547 /nfs/dbraw/zinc/27/55/47/981275547.db2.gz VSENYACDTMKQSW-VGMNWLOBSA-N -1 1 249.257 1.063 20 0 BDADMM COCCOC(=O)Nc1ccc(F)cc1[O-] ZINC001193406329 981301901 /nfs/dbraw/zinc/30/19/01/981301901.db2.gz RIZLRFJIKSRKEH-UHFFFAOYSA-N -1 1 229.207 1.726 20 0 BDADMM O=C(CC1CCCCC1)OCc1nn[n-]n1 ZINC001348851377 981460485 /nfs/dbraw/zinc/46/04/85/981460485.db2.gz ZGMDBKGMUAEMNX-UHFFFAOYSA-N -1 1 224.264 1.213 20 0 BDADMM COC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001193918590 981517454 /nfs/dbraw/zinc/51/74/54/981517454.db2.gz QYPBDPKSBWFKDX-UHFFFAOYSA-N -1 1 233.227 1.756 20 0 BDADMM COc1cncnc1-c1cc(F)ccc1[O-] ZINC001240693247 981597148 /nfs/dbraw/zinc/59/71/48/981597148.db2.gz JAPWISKIYRWMHD-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM CC(=O)Nc1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240693991 981599656 /nfs/dbraw/zinc/59/96/56/981599656.db2.gz LKHNCTWVMDKMIM-UHFFFAOYSA-N -1 1 247.229 1.947 20 0 BDADMM 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Cc1ccc([O-])c(C(=O)Nc2cccnc2F)n1 ZINC001195318785 982199306 /nfs/dbraw/zinc/19/93/06/982199306.db2.gz NSCDLTNZCMTPQB-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM Cc1ccc([O-])c(C(=O)Nc2ncccn2)n1 ZINC001195316001 982200153 /nfs/dbraw/zinc/20/01/53/982200153.db2.gz WBJPCLVGIXFCOW-UHFFFAOYSA-N -1 1 230.227 1.138 20 0 BDADMM C[C@@H](CC(=O)[O-])Nc1ccncc1C(F)(F)F ZINC001589007536 982570167 /nfs/dbraw/zinc/57/01/67/982570167.db2.gz GOVJMEMCACQFGO-LURJTMIESA-N -1 1 248.204 1.797 20 0 BDADMM C[C@@H](N[C@H](CO)c1c(F)cccc1F)C(=O)[O-] ZINC001352788447 982577929 /nfs/dbraw/zinc/57/79/29/982577929.db2.gz OZUGJTRYMBNZOS-HZGVNTEJSA-N -1 1 245.225 1.061 20 0 BDADMM C[C@H](NCC(=O)[O-])c1c(F)cncc1F ZINC001589122754 982620908 /nfs/dbraw/zinc/62/09/08/982620908.db2.gz MEQUBNDZEPPVLN-YFKPBYRVSA-N -1 1 216.187 1.095 20 0 BDADMM Cc1ccnc(S(=O)(=O)[N-][C@H]2CC2(F)F)c1 ZINC001198012105 982642048 /nfs/dbraw/zinc/64/20/48/982642048.db2.gz PAMNHCKXIZMEPH-ZETCQYMHSA-N -1 1 248.254 1.076 20 0 BDADMM C=CS(=O)(=O)Nc1cc([O-])c(F)c(F)c1 ZINC001198611238 982803006 /nfs/dbraw/zinc/80/30/06/982803006.db2.gz VPYNRQFYDMGMSL-UHFFFAOYSA-N -1 1 235.211 1.556 20 0 BDADMM CC(C)CN(C)c1cccnc1-c1nnn[n-]1 ZINC001589614436 982843254 /nfs/dbraw/zinc/84/32/54/982843254.db2.gz ZESPKOTUQVUBDA-UHFFFAOYSA-N -1 1 232.291 1.354 20 0 BDADMM CC(C)CN(C)c1cccnc1-c1nn[n-]n1 ZINC001589614436 982843255 /nfs/dbraw/zinc/84/32/55/982843255.db2.gz ZESPKOTUQVUBDA-UHFFFAOYSA-N -1 1 232.291 1.354 20 0 BDADMM CC(C)CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589604674 982843507 /nfs/dbraw/zinc/84/35/07/982843507.db2.gz ZNWNRJXAZLYCED-UHFFFAOYSA-N -1 1 233.279 1.115 20 0 BDADMM CC(C)CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589604674 982843510 /nfs/dbraw/zinc/84/35/10/982843510.db2.gz ZNWNRJXAZLYCED-UHFFFAOYSA-N -1 1 233.279 1.115 20 0 BDADMM CC(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589597220 982844890 /nfs/dbraw/zinc/84/48/90/982844890.db2.gz CMXNCINYXCTWEP-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CC(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589597220 982844891 /nfs/dbraw/zinc/84/48/91/982844891.db2.gz CMXNCINYXCTWEP-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CC(C)OCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001589748820 982878609 /nfs/dbraw/zinc/87/86/09/982878609.db2.gz JUEUAYKRSYHRHT-UHFFFAOYSA-N -1 1 248.290 1.099 20 0 BDADMM CC(C)OCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001589748820 982878610 /nfs/dbraw/zinc/87/86/10/982878610.db2.gz JUEUAYKRSYHRHT-UHFFFAOYSA-N -1 1 248.290 1.099 20 0 BDADMM CC(C)[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589763604 982880986 /nfs/dbraw/zinc/88/09/86/982880986.db2.gz SQCHIBLGXYUDHY-IONNQARKSA-N -1 1 245.290 1.113 20 0 BDADMM CC(C)[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589763604 982880989 /nfs/dbraw/zinc/88/09/89/982880989.db2.gz SQCHIBLGXYUDHY-IONNQARKSA-N -1 1 245.290 1.113 20 0 BDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589984647 982889752 /nfs/dbraw/zinc/88/97/52/982889752.db2.gz SLOQZKZONQXCFG-QMMMGPOBSA-N -1 1 244.302 1.862 20 0 BDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589984647 982889753 /nfs/dbraw/zinc/88/97/53/982889753.db2.gz SLOQZKZONQXCFG-QMMMGPOBSA-N -1 1 244.302 1.862 20 0 BDADMM CC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590136088 982893404 /nfs/dbraw/zinc/89/34/04/982893404.db2.gz IRWHCMQVWOTCHL-UHFFFAOYSA-N -1 1 248.242 1.417 20 0 BDADMM C[C@H]1CCC[C@H](Cn2cc(-c3nn[n-]n3)nn2)C1 ZINC001590245196 982912284 /nfs/dbraw/zinc/91/22/84/982912284.db2.gz XOCMNLOBFUXRNG-IUCAKERBSA-N -1 1 247.306 1.285 20 0 BDADMM CC[C@@H](C)CON=c1[nH]cncc1-c1nn[n-]n1 ZINC001590410904 982936012 /nfs/dbraw/zinc/93/60/12/982936012.db2.gz WCXKAJIONYIXIX-SSDOTTSWSA-N -1 1 249.278 1.046 20 0 BDADMM CC[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590414686 982941940 /nfs/dbraw/zinc/94/19/40/982941940.db2.gz SPOHSYBREJAZBI-SSDOTTSWSA-N -1 1 247.258 1.217 20 0 BDADMM CC[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590414686 982941946 /nfs/dbraw/zinc/94/19/46/982941946.db2.gz SPOHSYBREJAZBI-SSDOTTSWSA-N -1 1 247.258 1.217 20 0 BDADMM CCC(CC)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590434467 982942029 /nfs/dbraw/zinc/94/20/29/982942029.db2.gz PPAHXANUWQFIHK-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CCC(CC)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590434467 982942038 /nfs/dbraw/zinc/94/20/38/982942038.db2.gz PPAHXANUWQFIHK-UHFFFAOYSA-N -1 1 247.306 1.505 20 0 BDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001590471461 982942123 /nfs/dbraw/zinc/94/21/23/982942123.db2.gz GMSRFSPGVIRHTE-MRVPVSSYSA-N -1 1 245.290 1.257 20 0 BDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001590471461 982942146 /nfs/dbraw/zinc/94/21/46/982942146.db2.gz GMSRFSPGVIRHTE-MRVPVSSYSA-N -1 1 245.290 1.257 20 0 BDADMM CC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590514175 982953871 /nfs/dbraw/zinc/95/38/71/982953871.db2.gz SHVNDNCDULKWDN-MRVPVSSYSA-N -1 1 245.290 1.036 20 0 BDADMM CC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590514175 982953880 /nfs/dbraw/zinc/95/38/80/982953880.db2.gz SHVNDNCDULKWDN-MRVPVSSYSA-N -1 1 245.290 1.036 20 0 BDADMM CO[C@H](C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591324480 983060142 /nfs/dbraw/zinc/06/01/42/983060142.db2.gz NHKOBHZVXCXRKK-HTQZYQBOSA-N -1 1 248.290 1.097 20 0 BDADMM CO[C@H](C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591324480 983060147 /nfs/dbraw/zinc/06/01/47/983060147.db2.gz NHKOBHZVXCXRKK-HTQZYQBOSA-N -1 1 248.290 1.097 20 0 BDADMM Cc1ccc(N(C)CC2CC2)c(-c2nnn[n-]2)n1 ZINC001592175610 983117808 /nfs/dbraw/zinc/11/78/08/983117808.db2.gz QCBIWCDELKPBQU-UHFFFAOYSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1ccc(N(C)CC2CC2)c(-c2nn[n-]n2)n1 ZINC001592175610 983117814 /nfs/dbraw/zinc/11/78/14/983117814.db2.gz QCBIWCDELKPBQU-UHFFFAOYSA-N -1 1 244.302 1.416 20 0 BDADMM C[C@H](CC(=O)[O-])C(=O)Nc1cccc2[nH]nnc21 ZINC001592361956 983151092 /nfs/dbraw/zinc/15/10/92/983151092.db2.gz OJMSVCGENLLHKQ-ZCFIWIBFSA-N -1 1 248.242 1.007 20 0 BDADMM FC(F)CCNc1cccnc1-c1nnn[n-]1 ZINC001592625310 983186261 /nfs/dbraw/zinc/18/62/61/983186261.db2.gz SOBRZCJKZRRJLR-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM FC(F)CCNc1cccnc1-c1nn[n-]n1 ZINC001592625310 983186263 /nfs/dbraw/zinc/18/62/63/983186263.db2.gz SOBRZCJKZRRJLR-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM CNC(=S)Nc1ccc(F)cc1[O-] ZINC001200610047 983229661 /nfs/dbraw/zinc/22/96/61/983229661.db2.gz BPCRSRSLYKPRDK-UHFFFAOYSA-N -1 1 200.238 1.448 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(NCCC2CCC2)c1 ZINC001593585436 983306131 /nfs/dbraw/zinc/30/61/31/983306131.db2.gz SRUTXSPNSOXLAN-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(NCCC2CCC2)c1 ZINC001593585436 983306136 /nfs/dbraw/zinc/30/61/36/983306136.db2.gz SRUTXSPNSOXLAN-UHFFFAOYSA-N -1 1 244.302 1.864 20 0 BDADMM NC(=O)c1ccncc1-c1ccc(F)cc1[O-] ZINC001242221161 983425282 /nfs/dbraw/zinc/42/52/82/983425282.db2.gz RAFNZHRWSOEKRB-UHFFFAOYSA-N -1 1 232.214 1.692 20 0 BDADMM CCc1nnc([N-]C(=O)c2ccns2)s1 ZINC001357811215 983784012 /nfs/dbraw/zinc/78/40/12/983784012.db2.gz HFURQFLYFHGXPJ-UHFFFAOYSA-N -1 1 240.313 1.809 20 0 BDADMM Cc1noc(C)c1N(C)C(=O)c1cnncc1[O-] ZINC001358006223 983813498 /nfs/dbraw/zinc/81/34/98/983813498.db2.gz KWVLKRSSBMLWFU-UHFFFAOYSA-N -1 1 248.242 1.064 20 0 BDADMM CCC1(CC)CCN(C(=O)c2cnncc2[O-])C1 ZINC001358033200 983816424 /nfs/dbraw/zinc/81/64/24/983816424.db2.gz POARWJSVDYWCQC-UHFFFAOYSA-N -1 1 249.314 1.835 20 0 BDADMM CCOC(=O)[C@@H](C)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001596518782 984310732 /nfs/dbraw/zinc/31/07/32/984310732.db2.gz FZUAMGDLXCBINE-SKDRFNHKSA-N -1 1 243.303 1.125 20 0 BDADMM O=C(Nc1c[nH]ccc1=O)c1cccc([O-])c1F ZINC001443262572 984519545 /nfs/dbraw/zinc/51/95/45/984519545.db2.gz CHKJZQNNGRAWNI-UHFFFAOYSA-N -1 1 248.213 1.472 20 0 BDADMM CCOC(=O)[C@H](C)N(C)CC1(CC(=O)[O-])CC1 ZINC001596687912 984789690 /nfs/dbraw/zinc/78/96/90/984789690.db2.gz LLMMJFCTFYDDJD-VIFPVBQESA-N -1 1 243.303 1.125 20 0 BDADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc([O-])cn1 ZINC001546002415 984803796 /nfs/dbraw/zinc/80/37/96/984803796.db2.gz KOQCDRWTVIODHA-BDAKNGLRSA-N -1 1 236.271 1.037 20 0 BDADMM COCCCONC(=O)c1ccc(F)c([O-])c1 ZINC001449116623 984825187 /nfs/dbraw/zinc/82/51/87/984825187.db2.gz IFHBOZXXECHWMN-UHFFFAOYSA-N -1 1 243.234 1.229 20 0 BDADMM COCCCO[N-]C(=O)C1(CC(C)=O)CCC1 ZINC001449122842 984827211 /nfs/dbraw/zinc/82/72/11/984827211.db2.gz VVHNIMZSNTXKIY-UHFFFAOYSA-N -1 1 243.303 1.220 20 0 BDADMM C/C(=C\COC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC001588988977 984906030 /nfs/dbraw/zinc/90/60/30/984906030.db2.gz FBVBIRMZQPYCOP-ZKXNXJMVSA-N -1 1 243.303 1.147 20 0 BDADMM C/C=C/[C@H](O)C(=O)Nc1c([O-])cccc1F ZINC001453017016 984973738 /nfs/dbraw/zinc/97/37/38/984973738.db2.gz PXSOWLWQAULSIF-LXOKAJLYSA-N -1 1 225.219 1.407 20 0 BDADMM COC/C=C/C(=O)Nc1cccc(F)c1[O-] ZINC001454767139 985050622 /nfs/dbraw/zinc/05/06/22/985050622.db2.gz FZWULQGXLZNPSF-ZZXKWVIFSA-N -1 1 225.219 1.672 20 0 BDADMM C[C@@H]1C[C@H](C[N-]C(=O)C(F)(F)F)[C@H](C)O1 ZINC000686385539 985113611 /nfs/dbraw/zinc/11/36/11/985113611.db2.gz QBDHSKDADMQUGJ-DSYKOEDSSA-N -1 1 225.210 1.478 20 0 BDADMM CCO[N-]C(=O)Cc1c(OC)cccc1OC ZINC000155332684 985238508 /nfs/dbraw/zinc/23/85/08/985238508.db2.gz BTUGSQVZUSAVSC-UHFFFAOYSA-N -1 1 239.271 1.314 20 0 BDADMM O=C(N[C@H]1COC2(CCC2)C1)c1cncc([O-])c1 ZINC000688346141 985618492 /nfs/dbraw/zinc/61/84/92/985618492.db2.gz PTSQVYKAXAKEQE-SNVBAGLBSA-N -1 1 248.282 1.229 20 0 BDADMM CCOC[C@@H](C(=O)[O-])N(C)CCOCC(C)C ZINC001596883242 985751694 /nfs/dbraw/zinc/75/16/94/985751694.db2.gz AKZSWNBLNRIKFY-NSHDSACASA-N -1 1 247.335 1.081 20 0 BDADMM C[C@@H]1CSCCN1C(=O)c1ccc([O-])cn1 ZINC001465376477 986711836 /nfs/dbraw/zinc/71/18/36/986711836.db2.gz JDXRDJWZQKQFHM-MRVPVSSYSA-N -1 1 238.312 1.365 20 0 BDADMM Nc1ccc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001580449539 986857260 /nfs/dbraw/zinc/85/72/60/986857260.db2.gz NCBMEZJKXWOFOV-UHFFFAOYSA-N -1 1 230.227 1.017 20 0 BDADMM CO[C@H](C)CN(C)C(=O)c1ccc(F)c([O-])c1 ZINC001467823616 986871301 /nfs/dbraw/zinc/87/13/01/986871301.db2.gz IWLHNNFQDVAVCU-MRVPVSSYSA-N -1 1 241.262 1.638 20 0 BDADMM CCc1[nH]c(CNCCF)cc1C(=O)[O-] ZINC001597393598 987638866 /nfs/dbraw/zinc/63/88/66/987638866.db2.gz SSABPPXVXGZJHW-UHFFFAOYSA-N -1 1 214.240 1.334 20 0 BDADMM CC[C@](C)(NCc1n[nH]c(C(C)C)n1)C(=O)[O-] ZINC001594853142 987866927 /nfs/dbraw/zinc/86/69/27/987866927.db2.gz IUCBAMPCVDYKIX-NSHDSACASA-N -1 1 240.307 1.271 20 0 BDADMM O=C(NC/C=C/C1CC1)C(=O)c1ccc([O-])cc1 ZINC001117771599 987900089 /nfs/dbraw/zinc/90/00/89/987900089.db2.gz MFJHBJQFPZFYBE-OWOJBTEDSA-N -1 1 245.278 1.657 20 0 BDADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@@H](C)CC ZINC001117820233 987940616 /nfs/dbraw/zinc/94/06/16/987940616.db2.gz YSZFXMGMKBQXOE-VIFPVBQESA-N -1 1 245.319 1.812 20 0 BDADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCC(=O)[O-] ZINC001118177773 988076657 /nfs/dbraw/zinc/07/66/57/988076657.db2.gz XPJCVYMWCBWYCX-RKDXNWHRSA-N -1 1 229.276 1.036 20 0 BDADMM CCc1nc(CSCC(C)(C)C(=O)[O-])n[nH]1 ZINC001597672930 988768564 /nfs/dbraw/zinc/76/85/64/988768564.db2.gz CMEJQLUDNCGJJU-UHFFFAOYSA-N -1 1 243.332 1.711 20 0 BDADMM O=C(C[C@H]1CCCC1(F)F)OCc1nn[n-]n1 ZINC001515828600 989118649 /nfs/dbraw/zinc/11/86/49/989118649.db2.gz VHCAGZAGQQBDMG-ZCFIWIBFSA-N -1 1 246.217 1.068 20 0 BDADMM Nc1cncn1-c1ccc(C(=O)[O-])cc1Cl ZINC001248548908 989121353 /nfs/dbraw/zinc/12/13/53/989121353.db2.gz ORQBMCGPECBYKV-UHFFFAOYSA-N -1 1 237.646 1.806 20 0 BDADMM Cc1ccc(COCc2nn[n-]n2)c(Cl)n1 ZINC001119539826 989141664 /nfs/dbraw/zinc/14/16/64/989141664.db2.gz IVAJBHXUMODNBN-UHFFFAOYSA-N -1 1 239.666 1.273 20 0 BDADMM Cc1cc(COCc2nn[n-]n2)c(C)s1 ZINC001119540824 989146348 /nfs/dbraw/zinc/14/63/48/989146348.db2.gz QYLKHIDYOXXATJ-UHFFFAOYSA-N -1 1 224.289 1.595 20 0 BDADMM Clc1cnc(COCc2nn[n-]n2)s1 ZINC001119540455 989146725 /nfs/dbraw/zinc/14/67/25/989146725.db2.gz OJCGSKYLSOPZRH-UHFFFAOYSA-N -1 1 231.668 1.026 20 0 BDADMM O=C([O-])[C@H](O)CNCc1c(F)cccc1Cl ZINC001119551198 989156640 /nfs/dbraw/zinc/15/66/40/989156640.db2.gz UYPDICKFYBTYJU-SECBINFHSA-N -1 1 247.653 1.014 20 0 BDADMM Cc1cnc(CN[C@H](C)[C@H](C(=O)[O-])C(C)C)o1 ZINC001119612194 989237068 /nfs/dbraw/zinc/23/70/68/989237068.db2.gz WXHUIZFYJHJSQM-MWLCHTKSSA-N -1 1 240.303 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BDADMM CC1(C)CCC[C@H]1C(=O)OCc1nn[n-]n1 ZINC001123018080 990491746 /nfs/dbraw/zinc/49/17/46/990491746.db2.gz AVBAFILRQOBGKW-ZETCQYMHSA-N -1 1 224.264 1.069 20 0 BDADMM O=C(C1=CCCCC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001123868095 990688021 /nfs/dbraw/zinc/68/80/21/990688021.db2.gz BLXWSDJBMMMAOU-JTQLQIEISA-N -1 1 247.302 1.016 20 0 BDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@@H]1F ZINC001123901491 990696582 /nfs/dbraw/zinc/69/65/82/990696582.db2.gz FWGXKLUCQYDNDN-RITPCOANSA-N -1 1 231.173 1.967 20 0 BDADMM O=C(NOCC(F)(F)F)c1ccc([O-])cn1 ZINC001545432653 990751078 /nfs/dbraw/zinc/75/10/78/990751078.db2.gz GOVPUKFJLIXIFQ-UHFFFAOYSA-N -1 1 236.149 1.011 20 0 BDADMM O=C(N[C@H]1C=CCCC1)c1ccc([O-])cn1 ZINC001545538503 990754392 /nfs/dbraw/zinc/75/43/92/990754392.db2.gz FCKLKZLCARXRPB-VIFPVBQESA-N -1 1 218.256 1.626 20 0 BDADMM Cc1ccoc1CNC(=O)c1ccc([O-])cn1 ZINC001556869929 990861257 /nfs/dbraw/zinc/86/12/57/990861257.db2.gz ZQKCWHLHLLBVBS-UHFFFAOYSA-N -1 1 232.239 1.619 20 0 BDADMM 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/nfs/dbraw/zinc/64/08/83/585640883.db2.gz WJDOHGKDZHPBPX-UHFFFAOYSA-N -1 1 223.188 1.314 20 0 BDADMM CC(C)CO[N-]C(=O)[C@@H](C)c1cncnc1 ZINC000774443031 585659296 /nfs/dbraw/zinc/65/92/96/585659296.db2.gz QCAWUPHRAMCCRP-VIFPVBQESA-N -1 1 223.276 1.284 20 0 BDADMM COc1cccc(COC(=O)c2cn[n-]n2)c1 ZINC000805603208 585727824 /nfs/dbraw/zinc/72/78/24/585727824.db2.gz ISVRKOYXAUMWKS-UHFFFAOYSA-N -1 1 233.227 1.170 20 0 BDADMM C[C@H](CCc1ccccc1)OC(=O)c1cn[n-]n1 ZINC000805603172 585727836 /nfs/dbraw/zinc/72/78/36/585727836.db2.gz DYLMVOAQRYQHPD-SNVBAGLBSA-N -1 1 245.282 1.983 20 0 BDADMM O=C(OCc1ccc2c(c1)CCC2)c1cn[n-]n1 ZINC000805604149 585730455 /nfs/dbraw/zinc/73/04/55/585730455.db2.gz XRJKVPDIDZBGHH-UHFFFAOYSA-N -1 1 243.266 1.650 20 0 BDADMM O=C(OC[C@H]1CC1(Cl)Cl)c1cn[n-]n1 ZINC000805608644 585735725 /nfs/dbraw/zinc/73/57/25/585735725.db2.gz GFEWONVIFBSFFV-SCSAIBSYSA-N -1 1 236.058 1.155 20 0 BDADMM C[C@@H]1CCC[C@H](COC(=O)c2cn[n-]n2)C1 ZINC000805610327 585736665 /nfs/dbraw/zinc/73/66/65/585736665.db2.gz ZYGSEEZLRMVMDK-BDAKNGLRSA-N -1 1 223.276 1.788 20 0 BDADMM Cc1cc(C(=O)N=c2sccn2C)ccc1[O-] ZINC000779385193 585752951 /nfs/dbraw/zinc/75/29/51/585752951.db2.gz RULWBYLBSUVOEY-UHFFFAOYSA-N -1 1 248.307 1.842 20 0 BDADMM O=C(Nc1ccc(F)cc1[O-])C(F)F ZINC000787473477 585909897 /nfs/dbraw/zinc/90/98/97/585909897.db2.gz MHPAXKNOKVDZMA-UHFFFAOYSA-N -1 1 205.135 1.735 20 0 BDADMM C/C=C(\CC)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000789770766 585949504 /nfs/dbraw/zinc/94/95/04/585949504.db2.gz FMDGIUSTXVTPCL-YCRREMRBSA-N -1 1 249.318 1.442 20 0 BDADMM CC(C)Cc1ccccc1C(=O)Nc1nnn[n-]1 ZINC000790650693 585967101 /nfs/dbraw/zinc/96/71/01/585967101.db2.gz RFVVQUPFAGEEKO-UHFFFAOYSA-N -1 1 245.286 1.651 20 0 BDADMM CC(C)Cc1ccccc1C(=O)Nc1nn[n-]n1 ZINC000790650693 585967102 /nfs/dbraw/zinc/96/71/02/585967102.db2.gz RFVVQUPFAGEEKO-UHFFFAOYSA-N -1 1 245.286 1.651 20 0 BDADMM CSCCO[N-]C(=O)[C@H](C)c1cccnc1 ZINC000794189036 586034463 /nfs/dbraw/zinc/03/44/63/586034463.db2.gz 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241.237 1.965 20 0 BDADMM O=C([O-])c1ccc(CSc2cn[nH]n2)cc1 ZINC000819691782 586986511 /nfs/dbraw/zinc/98/65/11/586986511.db2.gz YGSADKGFBRZIMM-UHFFFAOYSA-N -1 1 235.268 1.795 20 0 BDADMM CCC1(CC(=O)Nc2c(C)[n-][nH]c2=O)COC1 ZINC000820407441 587046792 /nfs/dbraw/zinc/04/67/92/587046792.db2.gz LLKKNJAKQVXXOP-UHFFFAOYSA-N -1 1 239.275 1.179 20 0 BDADMM COc1cnc(C=Cc2cncs2)[n-]c1=O ZINC000821007165 587088011 /nfs/dbraw/zinc/08/80/11/587088011.db2.gz FIZFVYCFKKEQPA-IHWYPQMZSA-N -1 1 235.268 1.818 20 0 BDADMM CCC[C@@H]1C[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000821040190 587090444 /nfs/dbraw/zinc/09/04/44/587090444.db2.gz JVLSZWWGPDKOQJ-SCZZXKLOSA-N -1 1 244.302 1.862 20 0 BDADMM CCC[C@@H]1C[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000821040190 587090445 /nfs/dbraw/zinc/09/04/45/587090445.db2.gz JVLSZWWGPDKOQJ-SCZZXKLOSA-N -1 1 244.302 1.862 20 0 BDADMM CCC[C@@H]1C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000821040352 587090664 /nfs/dbraw/zinc/09/06/64/587090664.db2.gz KNFDHFBPQUKRHQ-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM CCC[C@@H]1C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000821040352 587090667 /nfs/dbraw/zinc/09/06/67/587090667.db2.gz KNFDHFBPQUKRHQ-SFYZADRCSA-N -1 1 245.290 1.257 20 0 BDADMM Cc1ccc2nc(C[NH2+][C@@H](C)CC(=O)[O-])[nH]c2c1 ZINC000821104027 587096142 /nfs/dbraw/zinc/09/61/42/587096142.db2.gz ZYHNBLYCRLBUNE-VIFPVBQESA-N -1 1 247.298 1.824 20 0 BDADMM O=C([O-])[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000821511102 587124035 /nfs/dbraw/zinc/12/40/35/587124035.db2.gz PNXKPSGBKNNECH-VIFPVBQESA-N -1 1 245.282 1.469 20 0 BDADMM CCc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821555031 587127953 /nfs/dbraw/zinc/12/79/53/587127953.db2.gz ZEUOLQAGUVLNRZ-UHFFFAOYSA-N -1 1 248.271 1.541 20 0 BDADMM CCc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821555031 587127955 /nfs/dbraw/zinc/12/79/55/587127955.db2.gz ZEUOLQAGUVLNRZ-UHFFFAOYSA-N -1 1 248.271 1.541 20 0 BDADMM CC1(C(=O)[N-]OCc2ccccn2)CC=CC1 ZINC000822243789 587159369 /nfs/dbraw/zinc/15/93/69/587159369.db2.gz UADRWHMWFNMYFF-UHFFFAOYSA-N -1 1 232.283 1.986 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(C)CC(F)(F)C1 ZINC000823130437 587204180 /nfs/dbraw/zinc/20/41/80/587204180.db2.gz NENVFLFEVVFSJN-UHFFFAOYSA-N -1 1 245.229 1.798 20 0 BDADMM COC(OC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000823439261 587221580 /nfs/dbraw/zinc/22/15/80/587221580.db2.gz NSGYLCMYDLCYKD-UHFFFAOYSA-N -1 1 247.197 1.228 20 0 BDADMM CC(C)CON=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC000824270793 587264016 /nfs/dbraw/zinc/26/40/16/587264016.db2.gz GZRFJVMQHNBCBI-UHFFFAOYSA-N -1 1 234.263 1.261 20 0 BDADMM CC(C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824337791 587266944 /nfs/dbraw/zinc/26/69/44/587266944.db2.gz HOQUJQGVBKBLFM-UHFFFAOYSA-N -1 1 235.316 1.903 20 0 BDADMM CC(C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824337791 587266945 /nfs/dbraw/zinc/26/69/45/587266945.db2.gz HOQUJQGVBKBLFM-UHFFFAOYSA-N -1 1 235.316 1.903 20 0 BDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC000824662470 587281781 /nfs/dbraw/zinc/28/17/81/587281781.db2.gz LCYSJBVEDRNJRA-MRVPVSSYSA-N -1 1 244.302 1.862 20 0 BDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC000824662470 587281783 /nfs/dbraw/zinc/28/17/83/587281783.db2.gz LCYSJBVEDRNJRA-MRVPVSSYSA-N -1 1 244.302 1.862 20 0 BDADMM CC1=CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000824858897 587290581 /nfs/dbraw/zinc/29/05/81/587290581.db2.gz MLLIBMPKPUYYSO-UHFFFAOYSA-N -1 1 242.286 1.418 20 0 BDADMM CC1=CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000824858897 587290583 /nfs/dbraw/zinc/29/05/83/587290583.db2.gz MLLIBMPKPUYYSO-UHFFFAOYSA-N -1 1 242.286 1.418 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1cccc(-c2nnn[n-]2)n1 ZINC000824907710 587292935 /nfs/dbraw/zinc/29/29/35/587292935.db2.gz JMYXCEURDUKYPT-IUCAKERBSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@H]1CC[C@H](C)N1c1cccc(-c2nn[n-]n2)n1 ZINC000824907710 587292936 /nfs/dbraw/zinc/29/29/36/587292936.db2.gz JMYXCEURDUKYPT-IUCAKERBSA-N -1 1 244.302 1.639 20 0 BDADMM C[C@](CNC(=O)[O-])(NCc1ccno1)C1CC1 ZINC000824952392 587294780 /nfs/dbraw/zinc/29/47/80/587294780.db2.gz OQBJROUKDYMRCL-LLVKDONJSA-N -1 1 239.275 1.201 20 0 BDADMM CCC[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825253916 587311143 /nfs/dbraw/zinc/31/11/43/587311143.db2.gz PNURYNCBXSIEHG-VXNVDRBHSA-N -1 1 245.290 1.257 20 0 BDADMM CCC[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825253916 587311145 /nfs/dbraw/zinc/31/11/45/587311145.db2.gz PNURYNCBXSIEHG-VXNVDRBHSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@H](c1ccccn1)[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000825644298 587328706 /nfs/dbraw/zinc/32/87/06/587328706.db2.gz ANLONEOOWRPSCO-MNOVXSKESA-N -1 1 249.314 1.875 20 0 BDADMM C[C@H](c1ccccn1)N1CCC[C@H](NC(=O)[O-])C1 ZINC000825644298 587328707 /nfs/dbraw/zinc/32/87/07/587328707.db2.gz ANLONEOOWRPSCO-MNOVXSKESA-N -1 1 249.314 1.875 20 0 BDADMM C[C@@H](c1ccccn1)N1CCC(NC(=O)[O-])CC1 ZINC000825646051 587328880 /nfs/dbraw/zinc/32/88/80/587328880.db2.gz YCFBAIWAGIOQBD-JTQLQIEISA-N -1 1 249.314 1.875 20 0 BDADMM C[C@@H](c1ccccn1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825644581 587328887 /nfs/dbraw/zinc/32/88/87/587328887.db2.gz HBHZNIWQXROKJN-QWRGUYRKSA-N -1 1 249.314 1.827 20 0 BDADMM C[C@H](c1cccnc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825645280 587328940 /nfs/dbraw/zinc/32/89/40/587328940.db2.gz NKEZDBCMVCLCDF-PWSUYJOCSA-N -1 1 249.314 1.827 20 0 BDADMM c1cn(CCC2CCCC2)c(-c2nnn[n-]2)n1 ZINC000826525134 587353536 /nfs/dbraw/zinc/35/35/36/587353536.db2.gz YGMICXQPYYHABG-UHFFFAOYSA-N -1 1 232.291 1.644 20 0 BDADMM c1cn(CCC2CCCC2)c(-c2nn[n-]n2)n1 ZINC000826525134 587353537 /nfs/dbraw/zinc/35/35/37/587353537.db2.gz YGMICXQPYYHABG-UHFFFAOYSA-N -1 1 232.291 1.644 20 0 BDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@H]32)c1 ZINC000826514677 587353944 /nfs/dbraw/zinc/35/39/44/587353944.db2.gz ZDDXKFWUSRUGRP-WCBMZHEXSA-N -1 1 242.286 1.250 20 0 BDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@H]32)c1 ZINC000826514677 587353945 /nfs/dbraw/zinc/35/39/45/587353945.db2.gz ZDDXKFWUSRUGRP-WCBMZHEXSA-N -1 1 242.286 1.250 20 0 BDADMM CCCN(CCF)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826912379 587365475 /nfs/dbraw/zinc/36/54/75/587365475.db2.gz YVCPHJHRUWHIPH-SECBINFHSA-N -1 1 218.272 1.420 20 0 BDADMM CCOCCN1CCN(C(=O)[O-])CC1(C)C ZINC000827399736 587379963 /nfs/dbraw/zinc/37/99/63/587379963.db2.gz NRTMRCLXKOAZLF-UHFFFAOYSA-N -1 1 230.308 1.097 20 0 BDADMM CC/C(C)=C/C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000827561744 587388554 /nfs/dbraw/zinc/38/85/54/587388554.db2.gz AALXDPILZDTKCY-TTZKWOQHSA-N -1 1 249.318 1.262 20 0 BDADMM C[C@H](c1ccncc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827957166 587412958 /nfs/dbraw/zinc/41/29/58/587412958.db2.gz LDAIBEHFIZQZRT-BXKDBHETSA-N -1 1 238.262 1.641 20 0 BDADMM C[N@@H+](CCNC(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000828330305 587435396 /nfs/dbraw/zinc/43/53/96/587435396.db2.gz ZYTRMTMITSHBKM-CYBMUJFWSA-N -1 1 248.326 1.743 20 0 BDADMM C[N@@H+](CCNC(=O)[O-])Cc1ccsc1 ZINC000828329359 587435700 /nfs/dbraw/zinc/43/57/00/587435700.db2.gz BKVADDAEBUALDL-UHFFFAOYSA-N -1 1 214.290 1.448 20 0 BDADMM CN(CCNC(=O)[O-])Cc1ccsc1 ZINC000828329359 587435701 /nfs/dbraw/zinc/43/57/01/587435701.db2.gz BKVADDAEBUALDL-UHFFFAOYSA-N -1 1 214.290 1.448 20 0 BDADMM 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CCCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590606319 982961557 /nfs/dbraw/zinc/96/15/57/982961557.db2.gz IRQXCERCNJJHRG-UHFFFAOYSA-N -1 1 236.231 1.417 20 0 BDADMM CCCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590606319 982961580 /nfs/dbraw/zinc/96/15/80/982961580.db2.gz IRQXCERCNJJHRG-UHFFFAOYSA-N -1 1 236.231 1.417 20 0 BDADMM CCCN(CC)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590624491 982966062 /nfs/dbraw/zinc/96/60/62/982966062.db2.gz OTLJVVWVAVVAPI-UHFFFAOYSA-N -1 1 249.274 1.332 20 0 BDADMM CCCN(CC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590624491 982966072 /nfs/dbraw/zinc/96/60/72/982966072.db2.gz OTLJVVWVAVVAPI-UHFFFAOYSA-N -1 1 249.274 1.332 20 0 BDADMM C[C@H](O)CNc1cc([O-])c(F)c(F)c1 ZINC001251967774 983047957 /nfs/dbraw/zinc/04/79/57/983047957.db2.gz VFAUATOXMNDZHU-YFKPBYRVSA-N -1 1 203.188 1.463 20 0 BDADMM COCCCCNc1cccnc1-c1nnn[n-]1 ZINC001591412691 983067090 /nfs/dbraw/zinc/06/70/90/983067090.db2.gz RKRSYFMTGGPNGI-UHFFFAOYSA-N -1 1 248.290 1.100 20 0 BDADMM COCCCCNc1cccnc1-c1nn[n-]n1 ZINC001591412691 983067107 /nfs/dbraw/zinc/06/71/07/983067107.db2.gz RKRSYFMTGGPNGI-UHFFFAOYSA-N -1 1 248.290 1.100 20 0 BDADMM Cc1scc(CN[C@@H](C(=O)[O-])[C@H](C)O)c1C ZINC001353955256 983098457 /nfs/dbraw/zinc/09/84/57/983098457.db2.gz PVNZZFCPOQDWAV-OIBJUYFYSA-N -1 1 243.328 1.289 20 0 BDADMM Cc1ccc(N[C@@H](C)C2CC2)nc1-c1nnn[n-]1 ZINC001592185451 983118716 /nfs/dbraw/zinc/11/87/16/983118716.db2.gz WWBDVTZFRFJIFL-QMMMGPOBSA-N -1 1 244.302 1.781 20 0 BDADMM Cc1ccc(N[C@@H](C)C2CC2)nc1-c1nn[n-]n1 ZINC001592185451 983118720 /nfs/dbraw/zinc/11/87/20/983118720.db2.gz WWBDVTZFRFJIFL-QMMMGPOBSA-N -1 1 244.302 1.781 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(CCCC2CC2)c1C ZINC001592339577 983140842 /nfs/dbraw/zinc/14/08/42/983140842.db2.gz PMEVIKBPTQRLRF-UHFFFAOYSA-N -1 1 246.318 1.870 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(CCCC2CC2)c1C ZINC001592339577 983140846 /nfs/dbraw/zinc/14/08/46/983140846.db2.gz PMEVIKBPTQRLRF-UHFFFAOYSA-N -1 1 246.318 1.870 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(CC2CC(C)C2)c1C ZINC001592339347 983141990 /nfs/dbraw/zinc/14/19/90/983141990.db2.gz ISBWMSRUEVZMLX-UHFFFAOYSA-N -1 1 246.318 1.726 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(CC2CC(C)C2)c1C ZINC001592339347 983141994 /nfs/dbraw/zinc/14/19/94/983141994.db2.gz ISBWMSRUEVZMLX-UHFFFAOYSA-N -1 1 246.318 1.726 20 0 BDADMM O=C([O-])c1ccc(-c2ccc3nn[nH]c3c2)nn1 ZINC001241940078 983154632 /nfs/dbraw/zinc/15/46/32/983154632.db2.gz YHPXRCIVXHPTQM-UHFFFAOYSA-N -1 1 241.210 1.113 20 0 BDADMM FC(F)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001592624823 983184032 /nfs/dbraw/zinc/18/40/32/983184032.db2.gz OJMFSXOZOIVEHP-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM FC(F)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001592624823 983184040 /nfs/dbraw/zinc/18/40/40/983184040.db2.gz OJMFSXOZOIVEHP-UHFFFAOYSA-N -1 1 240.217 1.329 20 0 BDADMM CC(F)(F)CN[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001592943686 983220871 /nfs/dbraw/zinc/22/08/71/983220871.db2.gz NQTHNRTYWOXYIC-NKWVEPMBSA-N -1 1 207.220 1.485 20 0 BDADMM c1ncc(-c2nn[n-]n2)c(NCCCC2CC2)n1 ZINC001593594828 983311624 /nfs/dbraw/zinc/31/16/24/983311624.db2.gz HRECCZXLUIQNFL-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM O=C([O-])Cn1cc(-c2cccn3cncc23)cn1 ZINC001242186406 983399234 /nfs/dbraw/zinc/39/92/34/983399234.db2.gz XTYREQYYTFBEOF-UHFFFAOYSA-N -1 1 242.238 1.282 20 0 BDADMM COc1ncncc1-c1ccc(F)cc1[O-] ZINC001242218691 983419107 /nfs/dbraw/zinc/41/91/07/983419107.db2.gz LFHDUZCNDYLTTD-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM CCn1nc(-c2ccc(F)cc2[O-])ccc1=O ZINC001242219015 983420223 /nfs/dbraw/zinc/42/02/23/983420223.db2.gz HBMHCPVEPKPAHO-UHFFFAOYSA-N -1 1 234.230 1.775 20 0 BDADMM O=C(c1cnncc1[O-])N1CC2CCC1CC2 ZINC001358100323 983828331 /nfs/dbraw/zinc/82/83/31/983828331.db2.gz CBYXACFGTVHDFX-UHFFFAOYSA-N -1 1 233.271 1.197 20 0 BDADMM CCS(=O)(=O)[N-]c1ccc(C(F)F)cn1 ZINC001253289630 984077300 /nfs/dbraw/zinc/07/73/00/984077300.db2.gz AGFZEZKSMBNPKB-UHFFFAOYSA-N -1 1 236.243 1.781 20 0 BDADMM C[C@@H](O)CNC(=O)c1ncc2ccccc2c1[O-] ZINC001545873353 984266647 /nfs/dbraw/zinc/26/66/47/984266647.db2.gz MNQHDOHVCCMRDY-MRVPVSSYSA-N -1 1 246.266 1.051 20 0 BDADMM NC(=O)c1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243048576 984396454 /nfs/dbraw/zinc/39/64/54/984396454.db2.gz MCCFXSQHXPRSAX-UHFFFAOYSA-N -1 1 233.202 1.087 20 0 BDADMM NC(=O)c1nccnc1-c1ccc(F)c([O-])c1 ZINC001243050323 984402147 /nfs/dbraw/zinc/40/21/47/984402147.db2.gz XBRSNLAKUXRVFW-UHFFFAOYSA-N -1 1 233.202 1.087 20 0 BDADMM COc1cnc(-c2ccc(F)c([O-])c2)nc1 ZINC001243050318 984404413 /nfs/dbraw/zinc/40/44/13/984404413.db2.gz XADRSEHJTRTFMA-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001440448759 984415867 /nfs/dbraw/zinc/41/58/67/984415867.db2.gz OVVNJLYFFMXARM-UHFFFAOYSA-N -1 1 206.176 1.178 20 0 BDADMM O=C(c1ccc(F)c([O-])c1)N(CCO)C1CC1 ZINC001446089060 984626362 /nfs/dbraw/zinc/62/63/62/984626362.db2.gz ALBATAIUVGWEOT-UHFFFAOYSA-N -1 1 239.246 1.128 20 0 BDADMM Cc1cc(-c2cnc(CN)nc2)ccc1C(=O)[O-] ZINC001243215592 984725760 /nfs/dbraw/zinc/72/57/60/984725760.db2.gz SOKWBRDDLDVNDI-UHFFFAOYSA-N -1 1 243.266 1.609 20 0 BDADMM Cn1cc(-c2ccc([O-])c(F)c2F)cnc1=O ZINC001243343177 984834991 /nfs/dbraw/zinc/83/49/91/984834991.db2.gz YCDRSPVVSZIINS-UHFFFAOYSA-N -1 1 238.193 1.431 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(O)c(C)c1 ZINC001450498527 984872651 /nfs/dbraw/zinc/87/26/51/984872651.db2.gz QGBKZZAXSAJXOI-UHFFFAOYSA-N -1 1 247.254 1.690 20 0 BDADMM C[C@H](NC(=O)c1ncccc1[O-])c1cnccn1 ZINC001452461106 984928576 /nfs/dbraw/zinc/92/85/76/984928576.db2.gz LPBXQYKRPUDZRU-QMMMGPOBSA-N -1 1 244.254 1.068 20 0 BDADMM Nc1ncc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243505868 985059476 /nfs/dbraw/zinc/05/94/76/985059476.db2.gz VVUJVAUORTUXKY-UHFFFAOYSA-N -1 1 223.182 1.710 20 0 BDADMM Cc1csc(C(=O)Nc2ccncc2[O-])c1 ZINC001457620415 985224994 /nfs/dbraw/zinc/22/49/94/985224994.db2.gz ZWTVFNSGVRSGKQ-UHFFFAOYSA-N -1 1 234.280 1.831 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1cc2occc2[nH]1 ZINC001457824584 985237879 /nfs/dbraw/zinc/23/78/79/985237879.db2.gz WANZBYNRTBUGRX-UHFFFAOYSA-N -1 1 232.199 1.442 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)C1Cc2ccccc2C1 ZINC001457822141 985241400 /nfs/dbraw/zinc/24/14/00/985241400.db2.gz JRMUIZDBCRLRIF-UHFFFAOYSA-N -1 1 243.266 1.469 20 0 BDADMM C[C@H]1CN(CCCCCF)C[C@@H](C(=O)[O-])O1 ZINC001599929784 985290404 /nfs/dbraw/zinc/29/04/04/985290404.db2.gz OISNUJSMULXGKR-UWVGGRQHSA-N -1 1 233.283 1.300 20 0 BDADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)C[C@H]1O ZINC001594501114 985684022 /nfs/dbraw/zinc/68/40/22/985684022.db2.gz LVAWAGWNKGZNPI-QNSHHTMESA-N -1 1 241.312 1.186 20 0 BDADMM Cc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1N ZINC001579664601 986166199 /nfs/dbraw/zinc/16/61/99/986166199.db2.gz UTJGEBWOYVXVTF-UHFFFAOYSA-N -1 1 232.243 1.258 20 0 BDADMM Cc1occc1C[N-]S(=O)(=O)C(F)F ZINC001259963098 986385663 /nfs/dbraw/zinc/38/56/63/986385663.db2.gz QNEOXHIAJHDELD-UHFFFAOYSA-N -1 1 225.216 1.230 20 0 BDADMM Cc1cnc(CN[C@H]2CCC[C@]2(C)C(=O)[O-])o1 ZINC001262158168 986537437 /nfs/dbraw/zinc/53/74/37/986537437.db2.gz ZOBHQMLYGBSHPC-CABZTGNLSA-N -1 1 238.287 1.716 20 0 BDADMM Cc1cccc(CNC(=O)c2cnncc2[O-])c1 ZINC001463966734 986593424 /nfs/dbraw/zinc/59/34/24/986593424.db2.gz PMOVNXCEAHDYON-UHFFFAOYSA-N -1 1 243.266 1.421 20 0 BDADMM O=C([O-])c1coc(CN2CCC(F)CC2)c1 ZINC000689437058 986606214 /nfs/dbraw/zinc/60/62/14/986606214.db2.gz NCVBQQIHEANQFB-UHFFFAOYSA-N -1 1 227.235 1.912 20 0 BDADMM Cc1noc(C)c1NC(=O)c1ccc([O-])cn1 ZINC001464502019 986637969 /nfs/dbraw/zinc/63/79/69/986637969.db2.gz PLTIVBFNJQZSJT-UHFFFAOYSA-N -1 1 233.227 1.644 20 0 BDADMM Cn1cccc1CNC(=O)c1ccc([O-])cn1 ZINC001465453958 986720163 /nfs/dbraw/zinc/72/01/63/986720163.db2.gz JKVIOEXLQNLGPU-UHFFFAOYSA-N -1 1 231.255 1.056 20 0 BDADMM Cc1cc(F)cc(NC(=O)c2cnncc2[O-])c1 ZINC001465877229 986747729 /nfs/dbraw/zinc/74/77/29/986747729.db2.gz ADTOMOUYGZRNGH-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM CC[C@@](C)(CO)NC(=O)c1cccc([O-])c1F ZINC001466631910 986814934 /nfs/dbraw/zinc/81/49/34/986814934.db2.gz BTQCHXFQBOXRJI-LBPRGKRZSA-N -1 1 241.262 1.422 20 0 BDADMM CON(C(=O)c1ccc([O-])cn1)C1CCCC1 ZINC001466782942 986824625 /nfs/dbraw/zinc/82/46/25/986824625.db2.gz BLKKPHQZMBYNHJ-UHFFFAOYSA-N -1 1 236.271 1.733 20 0 BDADMM O=C(NCc1cccnn1)c1cccc([O-])c1F ZINC001467532078 986856202 /nfs/dbraw/zinc/85/62/02/986856202.db2.gz QDVVMDXEHAMQQS-UHFFFAOYSA-N -1 1 247.229 1.251 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)C1CC(=O)C1 ZINC001468003154 986877333 /nfs/dbraw/zinc/87/73/33/986877333.db2.gz FLIXSSOUIQOJLW-UHFFFAOYSA-N -1 1 241.193 1.588 20 0 BDADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc([O-])cn1 ZINC001468504735 986921531 /nfs/dbraw/zinc/92/15/31/986921531.db2.gz NMNGOECZLOUANP-JGVFFNPUSA-N -1 1 206.245 1.268 20 0 BDADMM CC(=O)C1(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001468766696 986935521 /nfs/dbraw/zinc/93/55/21/986935521.db2.gz LOXCUYCGBCHUHX-UHFFFAOYSA-N -1 1 237.230 1.383 20 0 BDADMM Cc1cnc(C(=O)N[C@H](C)C(F)F)c([O-])c1 ZINC001468856424 986944672 /nfs/dbraw/zinc/94/46/72/986944672.db2.gz GLHVFSIAFUJSAU-ZCFIWIBFSA-N -1 1 230.214 1.479 20 0 BDADMM Cc1cnc(NC(=O)c2cncc([O-])c2)o1 ZINC001471677611 987109495 /nfs/dbraw/zinc/10/94/95/987109495.db2.gz SFVKTGSDSPUBHH-UHFFFAOYSA-N -1 1 219.200 1.336 20 0 BDADMM CC(=O)Nc1cccc(-n2[n-]c(C)cc2=O)c1 ZINC001245927704 987185711 /nfs/dbraw/zinc/18/57/11/987185711.db2.gz DJSKKXGPNIJBMJ-UHFFFAOYSA-N -1 1 231.255 1.845 20 0 BDADMM CNC(=S)n1[n-]c(C(C)(C)C)cc1=O ZINC001245930148 987192796 /nfs/dbraw/zinc/19/27/96/987192796.db2.gz UVPUKWUUTHOXQR-UHFFFAOYSA-N -1 1 213.306 1.239 20 0 BDADMM O=C(COc1ccccc1)Nc1c[n-][nH]c1=O ZINC001472570161 987243716 /nfs/dbraw/zinc/24/37/16/987243716.db2.gz VKJPJSVWITYFRM-UHFFFAOYSA-N -1 1 233.227 1.133 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)C1(C(F)F)CCC1 ZINC001472570407 987244439 /nfs/dbraw/zinc/24/44/39/987244439.db2.gz FOWYREAOGCSTPE-UHFFFAOYSA-N -1 1 231.202 1.489 20 0 BDADMM CC(C)(C)OCCCC(=O)Nc1c[n-][nH]c1=O ZINC001472570816 987245363 /nfs/dbraw/zinc/24/53/63/987245363.db2.gz PUPATWIRNPMZTJ-UHFFFAOYSA-N -1 1 241.291 1.649 20 0 BDADMM O=C(C=Cc1ccc[nH]1)Nc1c[n-][nH]c1=O ZINC001472571028 987247075 /nfs/dbraw/zinc/24/70/75/987247075.db2.gz ZCCSSZVJMMVJIX-ARJAWSKDSA-N -1 1 218.216 1.095 20 0 BDADMM COCc1csc(CN(C)[C@@H](C)C(=O)[O-])c1 ZINC000695474263 987333703 /nfs/dbraw/zinc/33/37/03/987333703.db2.gz WUUJCIXTTQPWBP-QMMMGPOBSA-N -1 1 243.328 1.799 20 0 BDADMM Cc1nonc1[C@@H](C)NCC1(C(=O)[O-])CCC1 ZINC001594502280 987848208 /nfs/dbraw/zinc/84/82/08/987848208.db2.gz URABDCMGMFKSRB-SSDOTTSWSA-N -1 1 239.275 1.284 20 0 BDADMM CC(C)(C)CC[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001589774098 988131116 /nfs/dbraw/zinc/13/11/16/988131116.db2.gz FNDZDXBUJXFQTN-UHFFFAOYSA-N -1 1 231.292 1.284 20 0 BDADMM CSc1ccc(CN2CC(C)(C(=O)[O-])C2)o1 ZINC001599812735 988366215 /nfs/dbraw/zinc/36/62/15/988366215.db2.gz BKIOXXDXIBXPAA-UHFFFAOYSA-N -1 1 241.312 1.908 20 0 BDADMM CCc1cccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001597587365 988412474 /nfs/dbraw/zinc/41/24/74/988412474.db2.gz YADPGPGGNBKEGA-QWHCGFSZSA-N -1 1 249.310 1.269 20 0 BDADMM CCc1cccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001597587360 988412891 /nfs/dbraw/zinc/41/28/91/988412891.db2.gz YADPGPGGNBKEGA-CHWSQXEVSA-N -1 1 249.310 1.269 20 0 BDADMM O=C([N-]c1ccon1)c1ncoc1[C@H]1CCCO1 ZINC001119380006 989024535 /nfs/dbraw/zinc/02/45/35/989024535.db2.gz OXVGTTUNQIZLBN-SSDOTTSWSA-N -1 1 249.226 1.766 20 0 BDADMM Cc1ccccc1[C@H](C)C(=O)OCc1nn[n-]n1 ZINC001515827096 989121588 /nfs/dbraw/zinc/12/15/88/989121588.db2.gz PBNNSPGFRJWXSS-VIFPVBQESA-N -1 1 246.270 1.355 20 0 BDADMM C1=C(CCOCc2nn[n-]n2)CCCC1 ZINC001119540689 989144769 /nfs/dbraw/zinc/14/47/69/989144769.db2.gz OZKIKOFGWLLKBB-UHFFFAOYSA-N -1 1 208.265 1.607 20 0 BDADMM CCCOc1cccc(COCc2nn[n-]n2)c1 ZINC001119540337 989146267 /nfs/dbraw/zinc/14/62/67/989146267.db2.gz NKMLSAWDXHGKJF-UHFFFAOYSA-N -1 1 248.286 1.705 20 0 BDADMM Cc1ccc(CCCOCc2nn[n-]n2)cc1 ZINC001119540454 989147992 /nfs/dbraw/zinc/14/79/92/989147992.db2.gz OILMLESTSXXQAS-UHFFFAOYSA-N -1 1 232.287 1.658 20 0 BDADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc2n(n1)CCC2 ZINC001119559967 989163553 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CC1(C)CCCC[C@H]1CC(=O)Nc1nn[n-]n1 ZINC000152445831 323323306 /nfs/dbraw/zinc/32/33/06/323323306.db2.gz LORQWIKCEPEOQH-QMMMGPOBSA-N -1 1 237.307 1.745 20 0 BDADMM Cc1c(C(=O)Nc2ccncc2[O-])cnn1C ZINC000162900746 324135210 /nfs/dbraw/zinc/13/52/10/324135210.db2.gz GKNXANTYKMFOFM-UHFFFAOYSA-N -1 1 232.243 1.081 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000529420469 324291819 /nfs/dbraw/zinc/29/18/19/324291819.db2.gz CVJKFOMMVNZQRM-HFHMMWAZSA-N -1 1 235.287 1.654 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])[C@@H](O)C1CCC1 ZINC000530006140 324455126 /nfs/dbraw/zinc/45/51/26/324455126.db2.gz PURZKYRNXOZBBG-JTQLQIEISA-N -1 1 239.246 1.631 20 0 BDADMM CCc1cc(C(=O)Nc2nn[n-]n2)oc1CC ZINC000135020739 325388817 /nfs/dbraw/zinc/38/88/17/325388817.db2.gz KCQAJTANEGRQDK-UHFFFAOYSA-N -1 1 235.247 1.170 20 0 BDADMM CCC[C@H](NC(=O)C1=CCCC1)c1nn[n-]n1 ZINC000154597135 326152449 /nfs/dbraw/zinc/15/24/49/326152449.db2.gz HDDKWJFGGATAIQ-VIFPVBQESA-N -1 1 235.291 1.267 20 0 BDADMM CCC[C@H](C(=O)OCC)N(C)CCCC(=O)[O-] ZINC000567989857 326292747 /nfs/dbraw/zinc/29/27/47/326292747.db2.gz RSMSLSCWKKZNTQ-SNVBAGLBSA-N -1 1 245.319 1.515 20 0 BDADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000568077051 326305211 /nfs/dbraw/zinc/30/52/11/326305211.db2.gz RXHOHZRDOPDABK-DTORHVGOSA-N -1 1 236.271 1.037 20 0 BDADMM CN(C(=O)c1ccc([O-])c(F)c1)c1ccn(C)n1 ZINC000681357368 487978846 /nfs/dbraw/zinc/97/88/46/487978846.db2.gz NSVKPYUSXVKTBN-UHFFFAOYSA-N -1 1 249.245 1.541 20 0 BDADMM CSc1n[nH]c(NC(=O)C2CC3(CC3)C2)n1 ZINC000667618932 488060639 /nfs/dbraw/zinc/06/06/39/488060639.db2.gz NOGZRYNSEHAIKA-UHFFFAOYSA-N -1 1 238.316 1.655 20 0 BDADMM Cc1cccc(CN2CCC[C@H]2C(=O)[O-])n1 ZINC000033594107 488132966 /nfs/dbraw/zinc/13/29/66/488132966.db2.gz YUDAXHPSRNLOBC-NSHDSACASA-N -1 1 220.272 1.439 20 0 BDADMM O=C([O-])C[C@H]1COCCN1CCc1ccccc1 ZINC000149079220 487487300 /nfs/dbraw/zinc/48/73/00/487487300.db2.gz GTPVZSXURGYUAP-ZDUSSCGKSA-N -1 1 249.310 1.405 20 0 BDADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000427463123 487506878 /nfs/dbraw/zinc/50/68/78/487506878.db2.gz QZSGCLULPXHJIQ-KKZNHRDASA-N -1 1 248.282 1.145 20 0 BDADMM CCc1c(C)[n-]n(-c2ccncn2)c1=O ZINC000094259018 487520635 /nfs/dbraw/zinc/52/06/35/487520635.db2.gz GVSSRBKQINSTBW-QMMMGPOBSA-N -1 1 204.233 1.225 20 0 BDADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)ncn1 ZINC000677891049 488149796 /nfs/dbraw/zinc/14/97/96/488149796.db2.gz FWDNXOMXIHTWNG-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM Cc1cccc(O)c1NC(=O)C1=C([O-])C(C)N=N1 ZINC000679320884 488335052 /nfs/dbraw/zinc/33/50/52/488335052.db2.gz UYLJSYLTCMDXSV-UHFFFAOYSA-N -1 1 247.254 1.690 20 0 BDADMM CCCN(CCC)S(=O)(=O)[N-]c1cnoc1 ZINC000673884783 488311358 /nfs/dbraw/zinc/31/13/58/488311358.db2.gz JAHRIAAHCCYOHO-UHFFFAOYSA-N -1 1 247.320 1.453 20 0 BDADMM Cc1ccc(NC(=O)CCc2nn[n-]n2)c(C)c1 ZINC000095332593 490227088 /nfs/dbraw/zinc/22/70/88/490227088.db2.gz IFHMOLHTSUAHDA-UHFFFAOYSA-N -1 1 245.286 1.388 20 0 BDADMM Cc1csc2c1ncnc2NCc1nn[n-]n1 ZINC000222294530 490626792 /nfs/dbraw/zinc/62/67/92/490626792.db2.gz VIIBOHHJADMLSK-UHFFFAOYSA-N -1 1 247.287 1.125 20 0 BDADMM C[C@H](C(=O)Nc1c([O-])cccc1F)n1cccn1 ZINC000089541360 491115039 /nfs/dbraw/zinc/11/50/39/491115039.db2.gz BXFAITCIXIYCCH-MRVPVSSYSA-N -1 1 249.245 1.928 20 0 BDADMM COCc1nc(N2CCCCC2)cc(=O)[n-]1 ZINC000891388141 582675760 /nfs/dbraw/zinc/67/57/60/582675760.db2.gz SOMAWICVURRONX-UHFFFAOYSA-N -1 1 223.276 1.319 20 0 BDADMM COCc1nc(N[C@H]2CCC2(C)C)cc(=O)[n-]1 ZINC000893859068 583233724 /nfs/dbraw/zinc/23/37/24/583233724.db2.gz HHFMPFZCDJYTTA-QMMMGPOBSA-N -1 1 237.303 1.929 20 0 BDADMM Cc1cc([N-]C(=O)c2nnc(C)s2)no1 ZINC000854300653 588783032 /nfs/dbraw/zinc/78/30/32/588783032.db2.gz XJEZHYDULFBRFM-UHFFFAOYSA-N -1 1 224.245 1.395 20 0 BDADMM O=C([N-]Oc1ccccc1)[C@@H]1CCCOCC1 ZINC000854537190 588791509 /nfs/dbraw/zinc/79/15/09/588791509.db2.gz PQZRARNHSAKZDN-LLVKDONJSA-N -1 1 235.283 1.913 20 0 BDADMM CCC(C)=CC(=O)Nc1c(C)[n-][nH]c1=O 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/nfs/dbraw/zinc/96/30/81/588963081.db2.gz RFEGBCCSCLYCQU-YFKPBYRVSA-N -1 1 249.648 1.927 20 0 BDADMM O=C(N[C@]12C[C@H]1COC2)c1ccc([O-])c(F)c1 ZINC000899245789 584185864 /nfs/dbraw/zinc/18/58/64/584185864.db2.gz IWBVSGMHRDQTTC-UFBFGSQYSA-N -1 1 237.230 1.050 20 0 BDADMM CC[C@H](CNc1cc(Cl)[n-]c(=O)n1)OC ZINC000858550767 588964697 /nfs/dbraw/zinc/96/46/97/588964697.db2.gz UUBMXCHCCBUDPD-ZCFIWIBFSA-N -1 1 231.683 1.673 20 0 BDADMM O=c1nc(NC2(CCO)CC2)cc(Cl)[n-]1 ZINC000858555182 588964940 /nfs/dbraw/zinc/96/49/40/588964940.db2.gz VCOPJKBYVMPPKQ-UHFFFAOYSA-N -1 1 229.667 1.163 20 0 BDADMM C[C@@H]1CN(c2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858556704 588965402 /nfs/dbraw/zinc/96/54/02/588965402.db2.gz QWBACRSRIOLRFE-RITPCOANSA-N -1 1 213.668 1.680 20 0 BDADMM CCCN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900144016 584277130 /nfs/dbraw/zinc/27/71/30/584277130.db2.gz SQUBZUSTCCELFY-UHFFFAOYSA-N -1 1 249.314 1.932 20 0 BDADMM CC[C@@H]1CCC[C@]1(C)C(=O)NCc1nn[n-]n1 ZINC000900657981 584337115 /nfs/dbraw/zinc/33/71/15/584337115.db2.gz CHGDXCCTELGCPG-KCJUWKMLSA-N -1 1 237.307 1.032 20 0 BDADMM CC[C@H](O)[C@H](C)C(=O)[N-]OC1CCCC1 ZINC000901331097 584425192 /nfs/dbraw/zinc/42/51/92/584425192.db2.gz WJDWBBYMOJRNFS-WPRPVWTQSA-N -1 1 215.293 1.384 20 0 BDADMM C[C@@H](CC(=O)[O-])NC(=O)c1cccc2nc[nH]c21 ZINC000901426475 584442709 /nfs/dbraw/zinc/44/27/09/584442709.db2.gz IZYQZFPGQOWHIX-ZETCQYMHSA-N -1 1 247.254 1.156 20 0 BDADMM O=C([O-])[C@H]1CCCN1Cc1cc2cnccc2o1 ZINC000901454896 584450003 /nfs/dbraw/zinc/45/00/03/584450003.db2.gz ZGGIRKOVTWRGMV-LLVKDONJSA-N -1 1 246.266 1.877 20 0 BDADMM CO[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000901530673 584459298 /nfs/dbraw/zinc/45/92/98/584459298.db2.gz KHHACGVFUFYWSM-SSDOTTSWSA-N -1 1 214.290 1.884 20 0 BDADMM Cc1cc(CNCc2cccn2C)oc1C(=O)[O-] ZINC000901941827 584506391 /nfs/dbraw/zinc/50/63/91/584506391.db2.gz CQEKLWOZAAPGQA-UHFFFAOYSA-N -1 1 248.282 1.915 20 0 BDADMM CCOCCNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902099149 584525130 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/nfs/dbraw/zinc/91/92/57/982919257.db2.gz ZCQXYVPJJFJHFZ-UHFFFAOYSA-N -1 1 235.287 1.348 20 0 BDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H]1C ZINC001590313007 982926265 /nfs/dbraw/zinc/92/62/65/982926265.db2.gz AIRNMTXZMMTWRW-RKDXNWHRSA-N -1 1 244.302 1.354 20 0 BDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H]1C ZINC001590313007 982926275 /nfs/dbraw/zinc/92/62/75/982926275.db2.gz AIRNMTXZMMTWRW-RKDXNWHRSA-N -1 1 244.302 1.354 20 0 BDADMM CC[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590410265 982931238 /nfs/dbraw/zinc/93/12/38/982931238.db2.gz KUPGOCCMQAHSOB-MRVPVSSYSA-N -1 1 247.306 1.139 20 0 BDADMM CCC(CC)Nc1cccnc1-c1nnn[n-]1 ZINC001590435711 982945272 /nfs/dbraw/zinc/94/52/72/982945272.db2.gz CLIQOJSCTVDELI-UHFFFAOYSA-N -1 1 232.291 1.862 20 0 BDADMM CCC(CC)Nc1cccnc1-c1nn[n-]n1 ZINC001590435711 982945293 /nfs/dbraw/zinc/94/52/93/982945293.db2.gz CLIQOJSCTVDELI-UHFFFAOYSA-N -1 1 232.291 1.862 20 0 BDADMM CCCC[C@@H](CC)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590579107 982962997 /nfs/dbraw/zinc/96/29/97/982962997.db2.gz HVAUHUQWRKTBCX-SECBINFHSA-N -1 1 249.322 1.675 20 0 BDADMM CCCCN(CC)c1cc(-c2nnn[n-]2)ncn1 ZINC001590600253 982963643 /nfs/dbraw/zinc/96/36/43/982963643.db2.gz NDOOXLSCNXDQTG-UHFFFAOYSA-N -1 1 247.306 1.283 20 0 BDADMM CCCCN(CC)c1cc(-c2nn[n-]n2)ncn1 ZINC001590600253 982963657 /nfs/dbraw/zinc/96/36/57/982963657.db2.gz NDOOXLSCNXDQTG-UHFFFAOYSA-N -1 1 247.306 1.283 20 0 BDADMM CCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590605693 982965216 /nfs/dbraw/zinc/96/52/16/982965216.db2.gz LMPQTPMEZKKEBK-UHFFFAOYSA-N -1 1 232.291 1.782 20 0 BDADMM CCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590605693 982965221 /nfs/dbraw/zinc/96/52/21/982965221.db2.gz LMPQTPMEZKKEBK-UHFFFAOYSA-N -1 1 232.291 1.782 20 0 BDADMM Fc1ccc(-c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001241808679 983068065 /nfs/dbraw/zinc/06/80/65/983068065.db2.gz STRXYZXOCCESBX-UHFFFAOYSA-N -1 1 242.217 1.463 20 0 BDADMM Fc1ccc(-c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001241808679 983068076 /nfs/dbraw/zinc/06/80/76/983068076.db2.gz STRXYZXOCCESBX-UHFFFAOYSA-N -1 1 242.217 1.463 20 0 BDADMM Cc1cc2c(c(-c3cscn3)n1)C(=O)[N-]C2=O ZINC001241888434 983101226 /nfs/dbraw/zinc/10/12/26/983101226.db2.gz KFINUAPJZUGNJD-UHFFFAOYSA-N -1 1 245.263 1.397 20 0 BDADMM Cc1cc(N2CC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591999592 983108490 /nfs/dbraw/zinc/10/84/90/983108490.db2.gz KGZBKJMYJREJPV-QMMMGPOBSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1cc(N2CC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591999592 983108495 /nfs/dbraw/zinc/10/84/95/983108495.db2.gz KGZBKJMYJREJPV-QMMMGPOBSA-N -1 1 244.302 1.416 20 0 BDADMM Cc1cc(N2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001592005783 983109964 /nfs/dbraw/zinc/10/99/64/983109964.db2.gz BSWUSTTYOPIONT-UHFFFAOYSA-N -1 1 244.302 1.560 20 0 BDADMM Cc1cc(N2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001592005783 983109969 /nfs/dbraw/zinc/10/99/69/983109969.db2.gz BSWUSTTYOPIONT-UHFFFAOYSA-N -1 1 244.302 1.560 20 0 BDADMM Cc1ccc(N2CC[C@H](F)C2)c(-c2nnn[n-]2)n1 ZINC001592177385 983118553 /nfs/dbraw/zinc/11/85/53/983118553.db2.gz SBFVKMCZYRDALS-QMMMGPOBSA-N -1 1 248.265 1.118 20 0 BDADMM Cc1ccc(N2CC[C@H](F)C2)c(-c2nn[n-]n2)n1 ZINC001592177385 983118558 /nfs/dbraw/zinc/11/85/58/983118558.db2.gz SBFVKMCZYRDALS-QMMMGPOBSA-N -1 1 248.265 1.118 20 0 BDADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2cncn2c1 ZINC001592362055 983151345 /nfs/dbraw/zinc/15/13/45/983151345.db2.gz VYVGVIXRGQDMLW-MRVPVSSYSA-N -1 1 247.254 1.384 20 0 BDADMM Cc1nc(NCCC(C)C)cc(-c2nnn[n-]2)n1 ZINC001592389107 983156101 /nfs/dbraw/zinc/15/61/01/983156101.db2.gz JMGKINQRHZVVMA-UHFFFAOYSA-N -1 1 247.306 1.423 20 0 BDADMM Cc1nc(NCCC(C)C)cc(-c2nn[n-]n2)n1 ZINC001592389107 983156110 /nfs/dbraw/zinc/15/61/10/983156110.db2.gz JMGKINQRHZVVMA-UHFFFAOYSA-N -1 1 247.306 1.423 20 0 BDADMM CC(F)(F)CN[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592943688 983221535 /nfs/dbraw/zinc/22/15/35/983221535.db2.gz NQTHNRTYWOXYIC-RQJHMYQMSA-N -1 1 207.220 1.485 20 0 BDADMM c1c(-c2nn[n-]n2)nnn1CC1CC2(CCC2)C1 ZINC001593543326 983300392 /nfs/dbraw/zinc/30/03/92/983300392.db2.gz KGYDELDOCDQOCJ-UHFFFAOYSA-N -1 1 245.290 1.039 20 0 BDADMM c1nc(-c2nnn[n-]2)cnc1NCC1CCCC1 ZINC001593590418 983309799 /nfs/dbraw/zinc/30/97/99/983309799.db2.gz RIEAZZHMXUVRQH-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM c1nc(-c2nn[n-]n2)cnc1NCC1CCCC1 ZINC001593590418 983309805 /nfs/dbraw/zinc/30/98/05/983309805.db2.gz RIEAZZHMXUVRQH-UHFFFAOYSA-N -1 1 245.290 1.259 20 0 BDADMM C/C(=C\C(=O)NC1(c2nn[n-]n2)CCC1)C1CC1 ZINC001593856834 983380804 /nfs/dbraw/zinc/38/08/04/983380804.db2.gz NFYFEEZXQXHIBZ-BQYQJAHWSA-N -1 1 247.302 1.051 20 0 BDADMM O=C([O-])c1cncc(-c2ccc(F)cc2O)n1 ZINC001242215572 983407958 /nfs/dbraw/zinc/40/79/58/983407958.db2.gz DQIRKGHQTMWYFR-UHFFFAOYSA-N -1 1 234.186 1.687 20 0 BDADMM CCCn1ncnc1CNC(C)(C)CC(=O)[O-] ZINC001596126018 983464252 /nfs/dbraw/zinc/46/42/52/983464252.db2.gz RAZYTUHESWIZCD-UHFFFAOYSA-N -1 1 240.307 1.031 20 0 BDADMM CCn1nccc(-c2cccc(F)c2[O-])c1=O ZINC001242352645 983630864 /nfs/dbraw/zinc/63/08/64/983630864.db2.gz BPJONBIOVAGYOX-UHFFFAOYSA-N -1 1 234.230 1.775 20 0 BDADMM CCNC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001202547634 983972087 /nfs/dbraw/zinc/97/20/87/983972087.db2.gz ICAGOFQSLJZPQN-UHFFFAOYSA-N -1 1 216.187 1.812 20 0 BDADMM Cn1nc(-c2cccc([O-])c2Cl)ccc1=O ZINC001242799468 984169624 /nfs/dbraw/zinc/16/96/24/984169624.db2.gz MTPSWROUIMKDRJ-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM CCNCc1cn(-c2ccc(C(=O)[O-])cc2)nn1 ZINC001596493955 984235802 /nfs/dbraw/zinc/23/58/02/984235802.db2.gz HKMCMSZSBYTLRI-UHFFFAOYSA-N -1 1 246.270 1.075 20 0 BDADMM Cc1occc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001243057458 984418996 /nfs/dbraw/zinc/41/89/96/984418996.db2.gz CSHLBUDYHXCNCM-UHFFFAOYSA-N -1 1 242.234 1.842 20 0 BDADMM Cn1cnc2cnc(-c3ccc(F)c([O-])c3)nc21 ZINC001243055020 984419259 /nfs/dbraw/zinc/41/92/59/984419259.db2.gz YYTQCXXDGBPRCW-UHFFFAOYSA-N -1 1 244.229 1.875 20 0 BDADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)n[nH]1 ZINC001441748026 984484719 /nfs/dbraw/zinc/48/47/19/984484719.db2.gz IIHBCZUPDLWWDH-UHFFFAOYSA-N -1 1 235.218 1.815 20 0 BDADMM CCC[C@@H](O)CCNC(=O)c1ccc([O-])cn1 ZINC001456579005 984819924 /nfs/dbraw/zinc/81/99/24/984819924.db2.gz ACKMCOUYOJMTCI-SECBINFHSA-N -1 1 238.287 1.068 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CCC[C@H](O)C1 ZINC001448959761 984823906 /nfs/dbraw/zinc/82/39/06/984823906.db2.gz BZVVCBMTAUINCF-QMMMGPOBSA-N -1 1 239.246 1.128 20 0 BDADMM Cn1cc(-c2ccc([O-])c(F)c2F)ncc1=O ZINC001243342799 984833168 /nfs/dbraw/zinc/83/31/68/984833168.db2.gz URDRTAOUORZIDK-UHFFFAOYSA-N -1 1 238.193 1.431 20 0 BDADMM Cc1cnc(C(=O)NCc2ccns2)c([O-])c1 ZINC001453546849 984995848 /nfs/dbraw/zinc/99/58/48/984995848.db2.gz HALXDKFSCKRPLB-UHFFFAOYSA-N -1 1 249.295 1.482 20 0 BDADMM C=C/C=C/CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001455023633 985057726 /nfs/dbraw/zinc/05/77/26/985057726.db2.gz WNTVBUGXENJXLV-ONEGZZNKSA-N -1 1 247.302 1.038 20 0 BDADMM Cn1cc(-c2ccc(Cl)c([O-])c2)ncc1=O ZINC001243578788 985132175 /nfs/dbraw/zinc/13/21/75/985132175.db2.gz RNNJAYYUCMPUNL-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM C[C@H]1CN([C@H]2C=CCCC2)C[C@@H](C(=O)[O-])O1 ZINC001599926858 985214340 /nfs/dbraw/zinc/21/43/40/985214340.db2.gz IDFOMMIULKHOHZ-DCAQKATOSA-N -1 1 225.288 1.269 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2cc[nH]c2n1 ZINC001457824103 985239649 /nfs/dbraw/zinc/23/96/49/985239649.db2.gz SWRXWCISVBTMOC-UHFFFAOYSA-N -1 1 243.226 1.244 20 0 BDADMM CC(C)n1nccc1C(=O)Nc1c[n-][nH]c1=O ZINC001457821131 985241957 /nfs/dbraw/zinc/24/19/57/985241957.db2.gz ICFKEPGGUCYXKX-UHFFFAOYSA-N -1 1 235.247 1.145 20 0 BDADMM Cc1cccc(C[N-]S(=O)(=O)C(F)F)c1C ZINC001259960698 986380919 /nfs/dbraw/zinc/38/09/19/986380919.db2.gz IEKZQVUANIOBEE-UHFFFAOYSA-N -1 1 249.282 1.945 20 0 BDADMM C[C@@H](O)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001464077104 986607480 /nfs/dbraw/zinc/60/74/80/986607480.db2.gz JFENELORBFBWDL-SSDOTTSWSA-N -1 1 247.254 1.102 20 0 BDADMM CC[C@H](O)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001465809691 986740775 /nfs/dbraw/zinc/74/07/75/986740775.db2.gz KHLUCDKNDBYTAT-VIFPVBQESA-N -1 1 241.262 1.422 20 0 BDADMM CC[C@H](CCO)NC(=O)c1cccc([O-])c1F ZINC001466038805 986764596 /nfs/dbraw/zinc/76/45/96/986764596.db2.gz LQMXOPLXZSAWMV-MRVPVSSYSA-N -1 1 241.262 1.422 20 0 BDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cn2)CCO1 ZINC001466099615 986772464 /nfs/dbraw/zinc/77/24/64/986772464.db2.gz SNQOWUSJYZLXCK-BDAKNGLRSA-N -1 1 236.271 1.085 20 0 BDADMM CC[C@@](C)(CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001466632322 986815361 /nfs/dbraw/zinc/81/53/61/986815361.db2.gz KLEFYNUUUVETKI-LBPRGKRZSA-N -1 1 241.262 1.422 20 0 BDADMM CO[C@H](C)[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001466901261 986829089 /nfs/dbraw/zinc/82/90/89/986829089.db2.gz CWIISELRXLBDLM-JGVFFNPUSA-N -1 1 241.262 1.685 20 0 BDADMM CC(C)n1cccc1C(=O)Nc1c[n-][nH]c1=O ZINC001472570044 987245181 /nfs/dbraw/zinc/24/51/81/987245181.db2.gz AVHWVAYMEMGJEM-UHFFFAOYSA-N -1 1 234.259 1.750 20 0 BDADMM CO[N-]C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001116124559 987454318 /nfs/dbraw/zinc/45/43/18/987454318.db2.gz BTUNPEGPOWJVFZ-ZCFIWIBFSA-N -1 1 215.199 1.746 20 0 BDADMM OC(=NOCC1CC1)N=c1cn[n-]s1 ZINC001476415885 987841863 /nfs/dbraw/zinc/84/18/63/987841863.db2.gz HEAXNIICOVEKNQ-UHFFFAOYSA-N -1 1 214.250 1.001 20 0 BDADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCC(=O)[O-] ZINC001118177715 988075886 /nfs/dbraw/zinc/07/58/86/988075886.db2.gz XPJCVYMWCBWYCX-BDAKNGLRSA-N -1 1 229.276 1.036 20 0 BDADMM O=C([O-])CCCNC1(c2ncccn2)CCC1 ZINC001595052572 988086607 /nfs/dbraw/zinc/08/66/07/988086607.db2.gz FQBWVXYLVOXQQC-UHFFFAOYSA-N -1 1 235.287 1.310 20 0 BDADMM Cn1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001118846819 988647846 /nfs/dbraw/zinc/64/78/46/988647846.db2.gz RKWWJJZKXCIUHP-NSHDSACASA-N -1 1 226.251 1.024 20 0 BDADMM Cc1cnc([C@@H](C)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001119030934 988804289 /nfs/dbraw/zinc/80/42/89/988804289.db2.gz FNZNRRGRWGXHCP-ZJUUUORDSA-N -1 1 238.287 1.841 20 0 BDADMM O=C([O-])[C@]1(NC/C(Cl)=C\Cl)CCOC1 ZINC001601718223 988885453 /nfs/dbraw/zinc/88/54/53/988885453.db2.gz DZLINRHMDKZMBA-HFSLJOEWSA-N -1 1 240.086 1.139 20 0 BDADMM CCc1ncc(CN2CC(C)(C(=O)[O-])C2)s1 ZINC001597696999 988903105 /nfs/dbraw/zinc/90/31/05/988903105.db2.gz FUHQTIJNRIZGLX-UHFFFAOYSA-N -1 1 240.328 1.612 20 0 BDADMM CC(C)c1oncc1[N-]C(=O)c1ncn(C)n1 ZINC001514580004 988909159 /nfs/dbraw/zinc/90/91/59/988909159.db2.gz FNHYHBNJJQFMHA-UHFFFAOYSA-N -1 1 235.247 1.179 20 0 BDADMM CCc1ncc(CNC2(CC(=O)[O-])CC2)o1 ZINC001597700148 988919575 /nfs/dbraw/zinc/91/95/75/988919575.db2.gz KTWBQTPMUYKSLW-UHFFFAOYSA-N -1 1 224.260 1.334 20 0 BDADMM C[C@H](C(=O)N(C)c1nn[n-]n1)c1ccsc1 ZINC001119655747 989304450 /nfs/dbraw/zinc/30/44/50/989304450.db2.gz NLSQICDRYLXGMZ-LURJTMIESA-N -1 1 237.288 1.028 20 0 BDADMM Cc1c(N)c(F)ccc1[N-]c1nonc1N ZINC001249628793 989328930 /nfs/dbraw/zinc/32/89/30/989328930.db2.gz AYNLEKQQMHHMPN-UHFFFAOYSA-N -1 1 223.211 1.425 20 0 BDADMM CCC1(C(=O)N2CC[C@H](c3nn[n-]n3)C2)CCC1 ZINC001521815444 989804232 /nfs/dbraw/zinc/80/42/32/989804232.db2.gz VGOPWJHHHGNACS-VIFPVBQESA-N -1 1 249.318 1.096 20 0 BDADMM C[C@H](c1ccco1)N(C)C(=O)c1cnncc1[O-] ZINC001120653147 989812658 /nfs/dbraw/zinc/81/26/58/989812658.db2.gz NHGNYPAMUBQDRA-MRVPVSSYSA-N -1 1 247.254 1.608 20 0 BDADMM CC(C)(/C=C/Cl)NC(=O)c1cnncc1[O-] ZINC001120697538 989834807 /nfs/dbraw/zinc/83/48/07/989834807.db2.gz SFQJNKILOGXOMO-ONEGZZNKSA-N -1 1 241.678 1.443 20 0 BDADMM C[C@H]1CCN(C(=O)c2cnncc2[O-])C[C@@H]1F ZINC001120717244 989844594 /nfs/dbraw/zinc/84/45/94/989844594.db2.gz QRPWUBQQNNOUSN-CBAPKCEASA-N -1 1 239.250 1.002 20 0 BDADMM CCc1ncoc1C(=O)[N-]c1conc1C ZINC001120749731 989866463 /nfs/dbraw/zinc/86/64/63/989866463.db2.gz LJLACGDUCYXTGR-UHFFFAOYSA-N -1 1 221.216 1.786 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001528450069 990290477 /nfs/dbraw/zinc/29/04/77/990290477.db2.gz ADKBEUWFWQXNIR-WUJLRWPWSA-N -1 1 231.202 1.263 20 0 BDADMM CCC[C@@H](C)CC(=O)OCc1nn[n-]n1 ZINC001123018143 990492660 /nfs/dbraw/zinc/49/26/60/990492660.db2.gz BVNDILPJSDFQMD-SSDOTTSWSA-N -1 1 212.253 1.069 20 0 BDADMM CCC1(C(=O)OCc2nn[n-]n2)CCCC1 ZINC001123018311 990492446 /nfs/dbraw/zinc/49/24/46/990492446.db2.gz GCUHBZFJPXOEMB-UHFFFAOYSA-N -1 1 224.264 1.213 20 0 BDADMM CN(Cc1ccco1)C(=O)c1cnncc1[O-] ZINC001538429436 990530988 /nfs/dbraw/zinc/53/09/88/990530988.db2.gz UGKQQKFVZFHPCL-UHFFFAOYSA-N -1 1 233.227 1.047 20 0 BDADMM CC(C)(CSCCc1c[nH]nn1)C(=O)[O-] ZINC001590820627 990656886 /nfs/dbraw/zinc/65/68/86/990656886.db2.gz WNVOMAFOMJNYMD-UHFFFAOYSA-N -1 1 229.305 1.191 20 0 BDADMM O=C(C1=CCCCC1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001123868096 990687722 /nfs/dbraw/zinc/68/77/22/990687722.db2.gz BLXWSDJBMMMAOU-SNVBAGLBSA-N -1 1 247.302 1.016 20 0 BDADMM Cc1cccc(N(C)C(=O)c2cnncc2[O-])c1 ZINC001547464700 990762413 /nfs/dbraw/zinc/76/24/13/990762413.db2.gz UMCDEHDRKCMIQC-UHFFFAOYSA-N -1 1 243.266 1.767 20 0 BDADMM CO[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001556210364 990810409 /nfs/dbraw/zinc/81/04/09/990810409.db2.gz WEZVJVFOGPZQDM-WCBMZHEXSA-N -1 1 236.271 1.085 20 0 BDADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)C(F)F ZINC001556964102 990866413 /nfs/dbraw/zinc/86/64/13/990866413.db2.gz PBQWHTJYEMRBOJ-YFKPBYRVSA-N -1 1 233.189 1.915 20 0 BDADMM CCc1ccc(C(=O)Nn2cccn2)c([O-])c1 ZINC001557489752 990893255 /nfs/dbraw/zinc/89/32/55/990893255.db2.gz GBHIMTRJLQQIEM-UHFFFAOYSA-N -1 1 231.255 1.535 20 0 BDADMM C[C@H]1CCCCCN1C(=O)c1cnncc1[O-] ZINC001138368747 990924237 /nfs/dbraw/zinc/92/42/37/990924237.db2.gz LEJALJPPFOKNBX-VIFPVBQESA-N -1 1 235.287 1.587 20 0 BDADMM Cc1[nH]cnc1CC(=O)[N-]Oc1ccccc1F ZINC001558225265 990932407 /nfs/dbraw/zinc/93/24/07/990932407.db2.gz CEEZTSRKLVPEQQ-UHFFFAOYSA-N -1 1 249.245 1.510 20 0 BDADMM O=C(Cc1ccc(O)cc1)Nc1c[n-][nH]c1=O ZINC001558988585 991010130 /nfs/dbraw/zinc/01/01/30/991010130.db2.gz WYOOSULCSRNJIA-UHFFFAOYSA-N -1 1 233.227 1.002 20 0 BDADMM COc1ccc(C(=O)Nc2c[n-][nH]c2=O)c(C)c1 ZINC001558988275 991016053 /nfs/dbraw/zinc/01/60/53/991016053.db2.gz JYLLIHIUNNNDLT-UHFFFAOYSA-N -1 1 247.254 1.685 20 0 BDADMM 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CCCN(C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878013477 590471762 /nfs/dbraw/zinc/47/17/62/590471762.db2.gz ITIVYGGSSWCRFK-UHFFFAOYSA-N -1 1 237.303 1.097 20 0 BDADMM Cn1ccc(CN2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000211755146 591259399 /nfs/dbraw/zinc/25/93/99/591259399.db2.gz BBJFDFSLNIBATC-SNVBAGLBSA-N -1 1 237.303 1.107 20 0 BDADMM CCNC(=O)[C@@H](C)[N-]c1nnc(C(C)(C)C)o1 ZINC000881772969 591270159 /nfs/dbraw/zinc/27/01/59/591270159.db2.gz KPGBIJAYWYRKQX-SSDOTTSWSA-N -1 1 240.307 1.304 20 0 BDADMM CN(Cc1cc(C(=O)[O-])co1)[C@H]1CCOC1 ZINC000134726919 591947516 /nfs/dbraw/zinc/94/75/16/591947516.db2.gz XJFCMQJVSUWANA-VIFPVBQESA-N -1 1 225.244 1.199 20 0 BDADMM O=C(OC[C@@H]1CCC2(CCC2)O1)c1cn[n-]n1 ZINC000884508145 591960136 /nfs/dbraw/zinc/96/01/36/591960136.db2.gz VSEBBXHWAAQZLP-QMMMGPOBSA-N -1 1 237.259 1.063 20 0 BDADMM C[C@@H](F)CC[N-]S(=O)(=O)c1ccns1 ZINC000885207814 592057890 /nfs/dbraw/zinc/05/78/90/592057890.db2.gz CIROUCCEVTWPEQ-ZCFIWIBFSA-N -1 1 238.309 1.170 20 0 BDADMM O=S(=O)([N-]C[C@H]1C=CCC1)c1ccns1 ZINC000885352601 592071946 /nfs/dbraw/zinc/07/19/46/592071946.db2.gz RHCWDXRWAGJPEV-QMMMGPOBSA-N -1 1 244.341 1.388 20 0 BDADMM O=C(N[C@H]1C[C@H](CO)C1)c1ccc([O-])cc1F ZINC000886889650 592386064 /nfs/dbraw/zinc/38/60/64/592386064.db2.gz CUNRRWPMLOESSL-ZKCHVHJHSA-N -1 1 239.246 1.032 20 0 BDADMM O=c1c2c([n-]n1C1CCSCC1)CCC2 ZINC000887292706 592477420 /nfs/dbraw/zinc/47/74/20/592477420.db2.gz BJRAFRKAXIYJMI-VIFPVBQESA-N -1 1 224.329 1.880 20 0 BDADMM O=C([O-])c1ccc(CN2CC[C@@H](O)C2)cc1F ZINC000236524325 601638127 /nfs/dbraw/zinc/63/81/27/601638127.db2.gz BZOWDOGWKJDQQN-SECBINFHSA-N -1 1 239.246 1.091 20 0 BDADMM CN(CCC(=O)[O-])Cc1cnc(Cl)s1 ZINC000308878838 596997259 /nfs/dbraw/zinc/99/72/59/596997259.db2.gz SXOYBKYFINPATD-UHFFFAOYSA-N -1 1 234.708 1.703 20 0 BDADMM Cc1ccc2nc(CN(C)CCC(=O)[O-])cn2c1 ZINC000037932850 596997585 /nfs/dbraw/zinc/99/75/85/596997585.db2.gz FEXQBRRWSOCCQM-UHFFFAOYSA-N -1 1 247.298 1.549 20 0 BDADMM 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/nfs/dbraw/zinc/37/75/23/712377523.db2.gz VDSWMOXRNMCSQP-ONEGZZNKSA-N -1 1 228.323 1.632 20 0 BDADMM CCC(CC)C[N-]S(=O)(=O)c1ccns1 ZINC000717686444 712664606 /nfs/dbraw/zinc/66/46/06/712664606.db2.gz CLJPADOIUKUFPR-UHFFFAOYSA-N -1 1 248.373 1.858 20 0 BDADMM O=C(N[C@]12C[C@H]1COC2)c1c([O-])cccc1F ZINC000718083237 712741843 /nfs/dbraw/zinc/74/18/43/712741843.db2.gz CRFVKLZOIWNZHY-MADCSZMMSA-N -1 1 237.230 1.050 20 0 BDADMM CC[C@@H](Sc1ncc(C)c(=O)[n-]1)C(C)=O ZINC000720136758 712827633 /nfs/dbraw/zinc/82/76/33/712827633.db2.gz LTNKZLARBLOHLL-MRVPVSSYSA-N -1 1 226.301 1.950 20 0 BDADMM CC(=O)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000722084136 712830943 /nfs/dbraw/zinc/83/09/43/712830943.db2.gz YPEXCGHINGAMLS-UHFFFAOYSA-N -1 1 248.282 1.228 20 0 BDADMM C[C@@H](C(=O)[N-]OC1CCCC1)[C@H]1CCCO1 ZINC000720618288 712859752 /nfs/dbraw/zinc/85/97/52/712859752.db2.gz GKVCZPRLKKVKRA-MWLCHTKSSA-N -1 1 227.304 1.792 20 0 BDADMM CN(C)c1nc(Nc2nccs2)cc(=O)[n-]1 ZINC001210990604 957975277 /nfs/dbraw/zinc/97/52/77/957975277.db2.gz FTSVGLIIRGCMGO-UHFFFAOYSA-N -1 1 237.288 1.448 20 0 BDADMM CO[C@@H]1CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140888051 960666437 /nfs/dbraw/zinc/66/64/37/960666437.db2.gz LZNVUMNVPYJQCY-SECBINFHSA-N -1 1 243.253 1.891 20 0 BDADMM [O-]c1c(F)cc(CN2CC(F)C2)cc1F ZINC001140988073 960778313 /nfs/dbraw/zinc/77/83/13/960778313.db2.gz MHFIVLRFNAVVEV-UHFFFAOYSA-N -1 1 217.190 1.824 20 0 BDADMM COC(=O)CN(C)Cc1cc(F)c([O-])c(F)c1 ZINC001140990474 960780533 /nfs/dbraw/zinc/78/05/33/960780533.db2.gz AXLFZGFUHSNXNW-UHFFFAOYSA-N -1 1 245.225 1.275 20 0 BDADMM Cc1ncsc1CN1CC(C)(C(=O)[O-])C1 ZINC000306863884 963203307 /nfs/dbraw/zinc/20/33/07/963203307.db2.gz JIASMQVELSZJHQ-UHFFFAOYSA-N -1 1 226.301 1.358 20 0 BDADMM Cc1nnsc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000309248969 963333711 /nfs/dbraw/zinc/33/37/11/963333711.db2.gz DGVWGCSLHDPDMH-QMMMGPOBSA-N -1 1 241.316 1.143 20 0 BDADMM C[C@H](O)CCCNCc1ncc(C(=O)[O-])s1 ZINC000309230774 963333836 /nfs/dbraw/zinc/33/38/36/963333836.db2.gz IJZKKINUJWFXBW-ZETCQYMHSA-N -1 1 244.316 1.092 20 0 BDADMM Cc1ccoc1CN(C)[C@H](C(=O)[O-])C1CC1 ZINC000309378700 963346100 /nfs/dbraw/zinc/34/61/00/963346100.db2.gz RFZHWBVGQVHGGQ-NSHDSACASA-N -1 1 223.272 1.883 20 0 BDADMM COC(=O)c1nc(O[C@H]2CCC(F)(F)C2)n[n-]1 ZINC001228314645 963743310 /nfs/dbraw/zinc/74/33/10/963743310.db2.gz SATKSAVLGIHLNJ-YFKPBYRVSA-N -1 1 247.201 1.158 20 0 BDADMM CCc1c(C)[n-]n(-c2ccn(C)n2)c1=O ZINC001119002327 968265375 /nfs/dbraw/zinc/26/53/75/968265375.db2.gz LRPRZHSPQCRMNZ-QMMMGPOBSA-N -1 1 206.249 1.169 20 0 BDADMM c1nnc([N-]c2c[nH]c3ncccc23)o1 ZINC001210938115 970073728 /nfs/dbraw/zinc/07/37/28/970073728.db2.gz BZOHTGFBIMFZFK-UHFFFAOYSA-N -1 1 201.189 1.690 20 0 BDADMM C[C@@H]1CCCC[C@H]1Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227568597 975555132 /nfs/dbraw/zinc/55/51/32/975555132.db2.gz PDHZMPLCBCOVDH-RNFRBKRXSA-N -1 1 225.248 1.240 20 0 BDADMM Cc1cc(F)ccc1[N-]c1nonc1N ZINC001173965626 976012935 /nfs/dbraw/zinc/01/29/35/976012935.db2.gz BYESCRVQLAILPL-UHFFFAOYSA-N -1 1 208.196 1.843 20 0 BDADMM COc1c(OCCOC(C)C)nc(C)[n-]c1=O ZINC001230021328 977078589 /nfs/dbraw/zinc/07/85/89/977078589.db2.gz MEIDJVAJWUFCEX-UHFFFAOYSA-N -1 1 242.275 1.303 20 0 BDADMM COC(=O)c1c[n-]c(O[C@@H]2CCO[C@H](C)C2)n1 ZINC001230282446 977157908 /nfs/dbraw/zinc/15/79/08/977157908.db2.gz VMXYNQHUKFDMPX-HTQZYQBOSA-N -1 1 240.259 1.143 20 0 BDADMM Cc1nc([C@H](C)S[C@H](C)C(=O)[O-])n[nH]1 ZINC001594443251 977661663 /nfs/dbraw/zinc/66/16/63/977661663.db2.gz UCEKOSFJLFVUPM-CRCLSJGQSA-N -1 1 215.278 1.380 20 0 BDADMM O=C(c1ccc(F)c([O-])c1)N1CC(F)C1 ZINC001597355312 978325220 /nfs/dbraw/zinc/32/52/20/978325220.db2.gz BGUHHCFZPWYKLQ-UHFFFAOYSA-N -1 1 213.183 1.325 20 0 BDADMM C[C@@H]1C[C@H](O)CN1Cc1ccc(F)c([O-])c1F ZINC001232931140 978338052 /nfs/dbraw/zinc/33/80/52/978338052.db2.gz JQTSBFHDMKWBSJ-APPZFPTMSA-N -1 1 243.253 1.626 20 0 BDADMM CC1(CO)CN(Cc2ccc([S-])cc2)C1 ZINC001233258644 978517394 /nfs/dbraw/zinc/51/73/94/978517394.db2.gz NJLYUGFUNSDSMZ-UHFFFAOYSA-N -1 1 223.341 1.790 20 0 BDADMM Cc1oc(CN(C)C2(CO)CC2)cc1C(=O)[O-] ZINC001600842926 978740569 /nfs/dbraw/zinc/74/05/69/978740569.db2.gz BWEYSOYGWOVNGU-UHFFFAOYSA-N -1 1 239.271 1.243 20 0 BDADMM Cc1cnc(CN(C)C(C)(C)CC(=O)[O-])o1 ZINC001339152011 978805310 /nfs/dbraw/zinc/80/53/10/978805310.db2.gz MHGXDOMOPXZOPV-UHFFFAOYSA-N -1 1 226.276 1.668 20 0 BDADMM O=C([O-])CC(=O)Nc1cccc(Cl)c1O ZINC001601889196 978862712 /nfs/dbraw/zinc/86/27/12/978862712.db2.gz XHZHVJAOOSKQQW-UHFFFAOYSA-N -1 1 229.619 1.459 20 0 BDADMM CC(=O)NCCc1c(F)ccc([O-])c1Cl ZINC001250016022 979236264 /nfs/dbraw/zinc/23/62/64/979236264.db2.gz AITULESVIJLWIJ-UHFFFAOYSA-N -1 1 231.654 1.863 20 0 BDADMM CC1(C)CCC[C@H]1n1[nH]cc(CC(=O)[O-])c1=O ZINC001604532261 979674454 /nfs/dbraw/zinc/67/44/54/979674454.db2.gz RSNFSHMRLVSZET-DTWKUNHWSA-N -1 1 238.287 1.484 20 0 BDADMM CNc1ccc(C)cc1CN[C@@H](CF)C(=O)[O-] ZINC001606311184 979995265 /nfs/dbraw/zinc/99/52/65/979995265.db2.gz HRSYPAOGINBWGN-NSHDSACASA-N -1 1 240.278 1.549 20 0 BDADMM Cc1cccc([N-]S(=O)(=O)C2CCC2)n1 ZINC001188097864 980593220 /nfs/dbraw/zinc/59/32/20/980593220.db2.gz YDCRHURTCOXTBG-UHFFFAOYSA-N -1 1 226.301 1.684 20 0 BDADMM CC[C@@H]1COCCN1C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595500916 981275248 /nfs/dbraw/zinc/27/52/48/981275248.db2.gz VSENYACDTMKQSW-IWSPIJDZSA-N -1 1 249.257 1.063 20 0 BDADMM C[C@@H]1CC[C@@H](C(=O)OCc2nn[n-]n2)C[C@H]1C ZINC001348851367 981461240 /nfs/dbraw/zinc/46/12/40/981461240.db2.gz YQEFNRMNTXLRHL-IWSPIJDZSA-N -1 1 238.291 1.315 20 0 BDADMM CCC(CC)(CC)NC(=O)c1cnncc1[O-] ZINC001586397264 981994095 /nfs/dbraw/zinc/99/40/95/981994095.db2.gz LMSMNFXMFGGZCH-UHFFFAOYSA-N -1 1 237.303 1.881 20 0 BDADMM CSCSc1cccnc1-c1nnn[n-]1 ZINC001591700662 983079397 /nfs/dbraw/zinc/07/93/97/983079397.db2.gz WCDSJABDTIFDFC-UHFFFAOYSA-N -1 1 239.329 1.674 20 0 BDADMM CSCSc1cccnc1-c1nn[n-]n1 ZINC001591700662 983079405 /nfs/dbraw/zinc/07/94/05/983079405.db2.gz WCDSJABDTIFDFC-UHFFFAOYSA-N -1 1 239.329 1.674 20 0 BDADMM CCc1ccc(COCc2nn[n-]n2)cc1 ZINC001353925557 983082497 /nfs/dbraw/zinc/08/24/97/983082497.db2.gz GUURIIPXKGXTGZ-UHFFFAOYSA-N -1 1 218.260 1.479 20 0 BDADMM CN(CCCCC(=O)[O-])[C@H]1CC(C)(C)OC1=O ZINC001593748013 983357746 /nfs/dbraw/zinc/35/77/46/983357746.db2.gz YHJGDTOJEKYFPM-VIFPVBQESA-N -1 1 243.303 1.267 20 0 BDADMM CN(CCC(=O)[O-])Cc1cn(C2CC2)cn1 ZINC001574004764 984058036 /nfs/dbraw/zinc/05/80/36/984058036.db2.gz OGGFSGADPYOWGH-UHFFFAOYSA-N -1 1 223.276 1.125 20 0 BDADMM CC[C@@H](CC(C)C)[NH2+]CCP(=O)([O-])[O-] ZINC001172388283 974734901 /nfs/dbraw/zinc/73/49/01/974734901.db2.gz CQSHEZMUVYIJKW-VIFPVBQESA-N -1 1 223.253 1.578 20 0 BDADMM C[C@H](Cc1ccccc1)OCc1nn[n-]n1 ZINC001223026641 972804474 /nfs/dbraw/zinc/80/44/74/972804474.db2.gz DVJLTDWJDCUHLR-SECBINFHSA-N -1 1 218.260 1.348 20 0 BDADMM C[C@@H](OCC[P@](=O)([O-])O)c1ccncc1F ZINC001224601730 973785928 /nfs/dbraw/zinc/78/59/28/973785928.db2.gz KEXATQVDLIOFLZ-SSDOTTSWSA-N -1 1 249.178 1.476 20 0 BDADMM Cc1nocc1[N-]C(=O)c1ccnc(F)c1F ZINC001130356752 970971687 /nfs/dbraw/zinc/97/16/87/970971687.db2.gz AZLNBFFABBXSCR-UHFFFAOYSA-N -1 1 239.181 1.909 20 0 BDADMM C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(=O)[O-])n[nH]1 ZINC001331983106 971027960 /nfs/dbraw/zinc/02/79/60/971027960.db2.gz CRQJKVSDEULXRK-DTWKUNHWSA-N -1 1 237.303 1.728 20 0 BDADMM CN(C(=O)c1cc(Cl)cs1)c1nn[n-]n1 ZINC001131170337 971145252 /nfs/dbraw/zinc/14/52/52/971145252.db2.gz YAOBYKRQVUSSAR-UHFFFAOYSA-N -1 1 243.679 1.191 20 0 BDADMM O=C(c1ncccc1[O-])N1CCC=C(Cl)C1 ZINC000404516324 971172430 /nfs/dbraw/zinc/17/24/30/971172430.db2.gz STDIMMBXWCYOJT-UHFFFAOYSA-N -1 1 238.674 1.756 20 0 BDADMM CCCC(CCC)[NH2+]CCP(=O)([O-])[O-] ZINC001257329979 971235012 /nfs/dbraw/zinc/23/50/12/971235012.db2.gz ZZLVDAXJSPNXJW-UHFFFAOYSA-N -1 1 223.253 1.723 20 0 BDADMM CCCC1(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)CC1 ZINC000720644002 971250228 /nfs/dbraw/zinc/25/02/28/971250228.db2.gz ARJZCESFGVGYDB-SECBINFHSA-N -1 1 249.318 1.096 20 0 BDADMM Cn1cc(-c2ccc(Cl)cc2[O-])ncc1=O ZINC001244469779 971289549 /nfs/dbraw/zinc/28/95/49/971289549.db2.gz SNMLFVGNPQTGRP-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM Cc1nnc(S[C@H](C(=O)[O-])C2CC2)[nH]1 ZINC000084091292 949040713 /nfs/dbraw/zinc/04/07/13/949040713.db2.gz GQCKSVUBFNZMLZ-LURJTMIESA-N -1 1 213.262 1.068 20 0 BDADMM Cc1n[nH]c(S[C@H](C(=O)[O-])C2CC2)n1 ZINC000084091292 949040735 /nfs/dbraw/zinc/04/07/35/949040735.db2.gz GQCKSVUBFNZMLZ-LURJTMIESA-N -1 1 213.262 1.068 20 0 BDADMM CCN(Cc1c(C(=O)[O-])cnn1C)C1CC1 ZINC000124356018 949254698 /nfs/dbraw/zinc/25/46/98/949254698.db2.gz ISVWGVCKAAVZJX-UHFFFAOYSA-N -1 1 223.276 1.103 20 0 BDADMM CC(C)O[N-]C(=O)Cc1cn(C)nc1Cl ZINC001330660349 974390479 /nfs/dbraw/zinc/39/04/79/974390479.db2.gz YOFQAYXZZARJKQ-UHFFFAOYSA-N -1 1 231.683 1.072 20 0 BDADMM C=C=CCNC(=O)c1cc(F)ccc1[O-] ZINC000816698423 971960567 /nfs/dbraw/zinc/96/05/67/971960567.db2.gz UDHWCNQVXRCLPI-UHFFFAOYSA-N -1 1 207.204 1.602 20 0 BDADMM O=C([O-])CCSc1n[nH]c(C2CC2)n1 ZINC000020396144 957142879 /nfs/dbraw/zinc/14/28/79/957142879.db2.gz MWGIXJGRWUSFNK-UHFFFAOYSA-N -1 1 213.262 1.249 20 0 BDADMM O=C([O-])CCSc1nnc(C2CC2)[nH]1 ZINC000020396144 957142887 /nfs/dbraw/zinc/14/28/87/957142887.db2.gz MWGIXJGRWUSFNK-UHFFFAOYSA-N -1 1 213.262 1.249 20 0 BDADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cscn1 ZINC000397111721 957483294 /nfs/dbraw/zinc/48/32/94/957483294.db2.gz RXZGMSIRMBFZFE-BDAKNGLRSA-N -1 1 240.328 1.828 20 0 BDADMM CCC[C@@H](C(=O)Nc1nnn[n-]1)c1ccccn1 ZINC001136946851 972300225 /nfs/dbraw/zinc/30/02/25/972300225.db2.gz OSVOBCJOKKGAGX-MRVPVSSYSA-N -1 1 246.274 1.117 20 0 BDADMM CCC[C@@H](C(=O)Nc1nn[n-]n1)c1ccccn1 ZINC001136946851 972300231 /nfs/dbraw/zinc/30/02/31/972300231.db2.gz OSVOBCJOKKGAGX-MRVPVSSYSA-N -1 1 246.274 1.117 20 0 BDADMM COC(C)(C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001136967119 972307715 /nfs/dbraw/zinc/30/77/15/972307715.db2.gz SFBIZBMBFAOXCH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/29/67/47/983296747.db2.gz WBHOHWHWPGJLKQ-UHFFFAOYSA-N -1 1 233.279 1.039 20 0 BDADMM c1cc(N2CCCCCO2)cc(-c2nnn[n-]2)n1 ZINC001593559088 983304109 /nfs/dbraw/zinc/30/41/09/983304109.db2.gz QYUCBEWVMGIGCG-UHFFFAOYSA-N -1 1 246.274 1.184 20 0 BDADMM c1cc(N2CCCCCO2)cc(-c2nn[n-]n2)n1 ZINC001593559088 983304113 /nfs/dbraw/zinc/30/41/13/983304113.db2.gz QYUCBEWVMGIGCG-UHFFFAOYSA-N -1 1 246.274 1.184 20 0 BDADMM c1cn(CC23CCC(CC2)C3)c(-c2nnn[n-]2)n1 ZINC001593582308 983307801 /nfs/dbraw/zinc/30/78/01/983307801.db2.gz MBDKVORQDVKDHZ-UHFFFAOYSA-N -1 1 244.302 1.644 20 0 BDADMM c1cn(CC23CCC(CC2)C3)c(-c2nn[n-]n2)n1 ZINC001593582308 983307809 /nfs/dbraw/zinc/30/78/09/983307809.db2.gz MBDKVORQDVKDHZ-UHFFFAOYSA-N -1 1 244.302 1.644 20 0 BDADMM O=C1Cc2cc(C3=CCOCC3)ccc2C(=O)[N-]1 ZINC001242079916 983329351 /nfs/dbraw/zinc/32/93/51/983329351.db2.gz SXHIUJWZPGOSNP-UHFFFAOYSA-N -1 1 243.262 1.303 20 0 BDADMM [O-]c1c(F)cccc1-c1cc2c(nn1)CNC2 ZINC001242349472 983611246 /nfs/dbraw/zinc/61/12/46/983611246.db2.gz QTPLKWKKWDKHKB-UHFFFAOYSA-N -1 1 231.230 1.592 20 0 BDADMM Cn1cc(-c2cccc(F)c2[O-])ncc1=O ZINC001242351165 983621106 /nfs/dbraw/zinc/62/11/06/983621106.db2.gz PRVYOCHAGNSQGN-UHFFFAOYSA-N -1 1 220.203 1.292 20 0 BDADMM COC(=O)c1ncc(-c2cccc(F)c2[O-])cn1 ZINC001242351786 983623443 /nfs/dbraw/zinc/62/34/43/983623443.db2.gz SZDNXYWFPVXBOK-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM CC(C)(NC(=O)c1cnncc1[O-])C1CCC1 ZINC001358267317 983845424 /nfs/dbraw/zinc/84/54/24/983845424.db2.gz PEXZCTGHKSPZJW-UHFFFAOYSA-N -1 1 235.287 1.491 20 0 BDADMM CCCNC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001202603834 984113350 /nfs/dbraw/zinc/11/33/50/984113350.db2.gz UVXFDHUCAJJAKS-UHFFFAOYSA-N -1 1 236.271 1.284 20 0 BDADMM O=C([O-])c1ccccc1-c1ncc2c(n1)CNC2 ZINC001242877214 984219299 /nfs/dbraw/zinc/21/92/99/984219299.db2.gz XQLNBBHSXULQBU-UHFFFAOYSA-N -1 1 241.250 1.445 20 0 BDADMM Cc1cc2c(c(-c3nccs3)n1)C(=O)[N-]C2=O ZINC001242895424 984249716 /nfs/dbraw/zinc/24/97/16/984249716.db2.gz XNNCDUKYVBZGHL-UHFFFAOYSA-N -1 1 245.263 1.397 20 0 BDADMM CCNc1ccccc1CN[C@H](CF)C(=O)[O-] ZINC001596504063 984257257 /nfs/dbraw/zinc/25/72/57/984257257.db2.gz HQFQSTXUNHOKIV-LLVKDONJSA-N -1 1 240.278 1.631 20 0 BDADMM CCOC(=O)[C@H](C)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001596518780 984310804 /nfs/dbraw/zinc/31/08/04/984310804.db2.gz FZUAMGDLXCBINE-CABZTGNLSA-N -1 1 243.303 1.125 20 0 BDADMM Cc1cc(C(=O)[N-]c2ccnc(F)c2F)no1 ZINC001437853043 984359754 /nfs/dbraw/zinc/35/97/54/984359754.db2.gz LLAFNQHSBADZIV-UHFFFAOYSA-N -1 1 239.181 1.909 20 0 BDADMM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243049491 984401794 /nfs/dbraw/zinc/40/17/94/984401794.db2.gz UZJIYSAKCBPNHA-UHFFFAOYSA-N -1 1 248.213 1.775 20 0 BDADMM C/C(=C\C(=O)[O-])CN(C)Cc1cnn(C)c1C ZINC001588945153 984651245 /nfs/dbraw/zinc/65/12/45/984651245.db2.gz HNYSBMCNLYVAAW-WEVVVXLNSA-N -1 1 237.303 1.191 20 0 BDADMM C/C(=C\C(=O)[O-])CN1CCc2c(O)cccc2C1 ZINC001588948593 984666603 /nfs/dbraw/zinc/66/66/03/984666603.db2.gz JIRKLNZROXGCEE-JXMROGBWSA-N -1 1 247.294 1.781 20 0 BDADMM [O-]c1ccc(-c2cncc3nncn32)c(F)c1F ZINC001243343511 984834891 /nfs/dbraw/zinc/83/48/91/984834891.db2.gz FXGKQCNITSJMSK-UHFFFAOYSA-N -1 1 248.192 1.775 20 0 BDADMM C/C(=C/C(=O)[O-])CN1CCc2c(O)cccc2C1 ZINC001588948594 984944919 /nfs/dbraw/zinc/94/49/19/984944919.db2.gz JIRKLNZROXGCEE-YFHOEESVSA-N -1 1 247.294 1.781 20 0 BDADMM C/C=C\[C@@H](O)C(=O)Nc1c([O-])cccc1F ZINC001453017013 984981075 /nfs/dbraw/zinc/98/10/75/984981075.db2.gz PXSOWLWQAULSIF-FIFYQCSRSA-N -1 1 225.219 1.407 20 0 BDADMM Cn1ncc(-c2cc(F)cc(F)c2[O-])cc1=O ZINC001243503002 985057755 /nfs/dbraw/zinc/05/77/55/985057755.db2.gz DNQDTJGJGYXYAU-UHFFFAOYSA-N -1 1 238.193 1.431 20 0 BDADMM CC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589040876 985094424 /nfs/dbraw/zinc/09/44/24/985094424.db2.gz GYOYPZBSNJJQPB-JQWIXIFHSA-N -1 1 235.283 1.627 20 0 BDADMM CC(C)[C@H](CO)NC(=O)c1cccc([O-])c1F ZINC001457375304 985202653 /nfs/dbraw/zinc/20/26/53/985202653.db2.gz AZNODOFAOLOITO-VIFPVBQESA-N -1 1 241.262 1.278 20 0 BDADMM CC(C)C1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589516356 985225518 /nfs/dbraw/zinc/22/55/18/985225518.db2.gz ABDZVNIMMUDNOZ-UHFFFAOYSA-N -1 1 244.302 1.354 20 0 BDADMM CC(C)C1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589516356 985225531 /nfs/dbraw/zinc/22/55/31/985225531.db2.gz ABDZVNIMMUDNOZ-UHFFFAOYSA-N -1 1 244.302 1.354 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(F)cc1F ZINC001457832067 985245845 /nfs/dbraw/zinc/24/58/45/985245845.db2.gz XLIXGKPTDLSATI-UHFFFAOYSA-N -1 1 239.181 1.646 20 0 BDADMM Cc1nc(CC(=O)Nc2c[n-][nH]c2=O)cs1 ZINC001457831615 985246514 /nfs/dbraw/zinc/24/65/14/985246514.db2.gz VFOMAAGTSNGJBR-UHFFFAOYSA-N -1 1 238.272 1.061 20 0 BDADMM CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001589225012 985750833 /nfs/dbraw/zinc/75/08/33/985750833.db2.gz NSQATTKOVBORRX-UHFFFAOYSA-N -1 1 219.200 1.220 20 0 BDADMM CNC(=O)c1cnc(-c2cc(C)ccc2[O-])nc1 ZINC001244402829 986068080 /nfs/dbraw/zinc/06/80/80/986068080.db2.gz LJQQVCDHBZZVIE-UHFFFAOYSA-N -1 1 243.266 1.517 20 0 BDADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC001260724598 986424897 /nfs/dbraw/zinc/42/48/97/986424897.db2.gz XCKPJEKNOHWOLR-QMMMGPOBSA-N -1 1 231.321 1.269 20 0 BDADMM Cc1cccnc1NC(=O)c1ccc([O-])cn1 ZINC001464201086 986619464 /nfs/dbraw/zinc/61/94/64/986619464.db2.gz JASRHHIZSYTVIW-UHFFFAOYSA-N -1 1 229.239 1.743 20 0 BDADMM Cc1ncsc1CNC(=O)c1ccc([O-])cn1 ZINC001464982898 986681970 /nfs/dbraw/zinc/68/19/70/986681970.db2.gz SYOVTWWCGXYSCF-UHFFFAOYSA-N -1 1 249.295 1.482 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(CC2CCC2)c1C ZINC001592338873 986737780 /nfs/dbraw/zinc/73/77/80/986737780.db2.gz AAUCWOPYOJHSCW-UHFFFAOYSA-N -1 1 232.291 1.480 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(CC2CCC2)c1C ZINC001592338873 986737784 /nfs/dbraw/zinc/73/77/84/986737784.db2.gz AAUCWOPYOJHSCW-UHFFFAOYSA-N -1 1 232.291 1.480 20 0 BDADMM CC(C)[C@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001465790711 986741759 /nfs/dbraw/zinc/74/17/59/986741759.db2.gz SLFKRNSCZCXPAE-JTQLQIEISA-N -1 1 234.299 1.905 20 0 BDADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCN1CC ZINC001468497091 986916502 /nfs/dbraw/zinc/91/65/02/986916502.db2.gz KSRUNBPOMDOYEH-UWVGGRQHSA-N -1 1 214.309 1.175 20 0 BDADMM O=c1[nH]cc2[nH]c(-c3c([O-])cccc3F)ccc1-2 ZINC001245652815 987019821 /nfs/dbraw/zinc/01/98/21/987019821.db2.gz AFEXNGOSCVSSTN-UHFFFAOYSA-N -1 1 244.225 1.837 20 0 BDADMM [O-]c1cccc(F)c1-c1ncc2c(n1)CNC2 ZINC001245654831 987030253 /nfs/dbraw/zinc/03/02/53/987030253.db2.gz SDGZQGSFDLGQJS-UHFFFAOYSA-N -1 1 231.230 1.592 20 0 BDADMM COC[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001471542822 987095585 /nfs/dbraw/zinc/09/55/85/987095585.db2.gz LPYKXDSJDHYWHQ-ZETCQYMHSA-N -1 1 227.235 1.296 20 0 BDADMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)C1CCC1 ZINC001472570709 987243813 /nfs/dbraw/zinc/24/38/13/987243813.db2.gz LVAMMFKCKNMEBS-UHFFFAOYSA-N -1 1 223.276 1.880 20 0 BDADMM Cc1ncncc1NC(=O)c1cncc([O-])c1 ZINC001472628676 987255543 /nfs/dbraw/zinc/25/55/43/987255543.db2.gz JJRMYHBTNAJURL-UHFFFAOYSA-N -1 1 230.227 1.138 20 0 BDADMM CCc1[nH]c(CN2CC(C)C2)cc1C(=O)[O-] ZINC001597383074 987580055 /nfs/dbraw/zinc/58/00/55/987580055.db2.gz AIXPXIBFRBLKNK-UHFFFAOYSA-N -1 1 222.288 1.727 20 0 BDADMM Cc1coc(C(=O)Nc2ccncc2[O-])c1C ZINC001117356625 987827451 /nfs/dbraw/zinc/82/74/51/987827451.db2.gz FUADRHVUEYLYTM-UHFFFAOYSA-N -1 1 232.239 1.671 20 0 BDADMM Cc1nonc1[C@H](C)NCC1(C(=O)[O-])CCC1 ZINC001594502281 987849014 /nfs/dbraw/zinc/84/90/14/987849014.db2.gz URABDCMGMFKSRB-ZETCQYMHSA-N -1 1 239.275 1.284 20 0 BDADMM CCc1cccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC001597587366 988412701 /nfs/dbraw/zinc/41/27/01/988412701.db2.gz YADPGPGGNBKEGA-STQMWFEESA-N -1 1 249.310 1.269 20 0 BDADMM CCc1cccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001597587363 988412997 /nfs/dbraw/zinc/41/29/97/988412997.db2.gz YADPGPGGNBKEGA-OLZOCXBDSA-N -1 1 249.310 1.269 20 0 BDADMM CCc1ncc(CNc2cncc(C(=O)[O-])n2)[nH]1 ZINC001597673744 988778284 /nfs/dbraw/zinc/77/82/84/988778284.db2.gz HCYWVURYTVPZDN-UHFFFAOYSA-N -1 1 247.258 1.072 20 0 BDADMM O=C([N-]c1ccon1)c1ncoc1[C@@H]1CCCO1 ZINC001119380007 989023338 /nfs/dbraw/zinc/02/33/38/989023338.db2.gz OXVGTTUNQIZLBN-ZETCQYMHSA-N -1 1 249.226 1.766 20 0 BDADMM Cc1cc(C(=O)N(C)c2nn[n-]n2)c(C)s1 ZINC001119429312 989059376 /nfs/dbraw/zinc/05/93/76/989059376.db2.gz BEFAONCMNAEOGT-UHFFFAOYSA-N -1 1 237.288 1.155 20 0 BDADMM Cc1ccccc1[C@@H](C)C(=O)OCc1nn[n-]n1 ZINC001515827095 989120829 /nfs/dbraw/zinc/12/08/29/989120829.db2.gz PBNNSPGFRJWXSS-SECBINFHSA-N -1 1 246.270 1.355 20 0 BDADMM CCC[C@H](CC(C)C)C(=O)OCc1nn[n-]n1 ZINC001519443044 989416752 /nfs/dbraw/zinc/41/67/52/989416752.db2.gz TYGQFHDGHRACDS-SECBINFHSA-N -1 1 240.307 1.705 20 0 BDADMM CC1(C(=O)OCc2nn[n-]n2)CCCCCC1 ZINC001519442070 989419138 /nfs/dbraw/zinc/41/91/38/989419138.db2.gz NQTCLNPFTHVJQE-UHFFFAOYSA-N -1 1 238.291 1.603 20 0 BDADMM CCc1ncc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC001120355431 989636484 /nfs/dbraw/zinc/63/64/84/989636484.db2.gz NPJMRFMSLKTHTE-UHFFFAOYSA-N -1 1 212.249 1.144 20 0 BDADMM CCc1ncc(CN(C)CCC(=O)[O-])o1 ZINC001120355431 989636495 /nfs/dbraw/zinc/63/64/95/989636495.db2.gz NPJMRFMSLKTHTE-UHFFFAOYSA-N -1 1 212.249 1.144 20 0 BDADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@@H]1F ZINC001521659472 989762689 /nfs/dbraw/zinc/76/26/89/989762689.db2.gz BRINUIXLQHPYGF-UHNVWZDZSA-N -1 1 231.173 1.967 20 0 BDADMM CC[C@@H](F)C(=O)[N-]C1=NC[C@H](C)S1 ZINC001120748442 989864765 /nfs/dbraw/zinc/86/47/65/989864765.db2.gz DPRABRJEIHKFMV-NTSWFWBYSA-N -1 1 204.270 1.342 20 0 BDADMM COc1ccc(C(=O)[N-]c2nnc(C)s2)o1 ZINC001524541232 990002821 /nfs/dbraw/zinc/00/28/21/990002821.db2.gz URSBJEFTEAKVPQ-UHFFFAOYSA-N -1 1 239.256 1.700 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1F ZINC001528634915 990304471 /nfs/dbraw/zinc/30/44/71/990304471.db2.gz GEUMRUBCCPGMII-IYSWYEEDSA-N -1 1 213.183 1.828 20 0 BDADMM CN(C(=O)c1ccc(Cl)s1)c1nn[nH]n1 ZINC001532474218 990411371 /nfs/dbraw/zinc/41/13/71/990411371.db2.gz NTRFOYWWIIDZAW-UHFFFAOYSA-N -1 1 243.679 1.191 20 0 BDADMM CN(C(=O)c1ccc(Cl)s1)c1nn[n-]n1 ZINC001532474218 990411376 /nfs/dbraw/zinc/41/13/76/990411376.db2.gz NTRFOYWWIIDZAW-UHFFFAOYSA-N -1 1 243.679 1.191 20 0 BDADMM CO[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001149096393 990446011 /nfs/dbraw/zinc/44/60/11/990446011.db2.gz KAJUOKXICDJNSN-SECBINFHSA-N -1 1 239.246 1.392 20 0 BDADMM Cc1nocc1[N-]C(=O)c1ncccc1F ZINC001537836669 990517596 /nfs/dbraw/zinc/51/75/96/990517596.db2.gz GBQDFNQJFJUXBX-UHFFFAOYSA-N -1 1 221.191 1.769 20 0 BDADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)CCO1 ZINC001539723972 990580765 /nfs/dbraw/zinc/58/07/65/990580765.db2.gz SLXHIBFCNBNDNX-MRVPVSSYSA-N -1 1 239.246 1.392 20 0 BDADMM Cn1cc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001540553657 990624212 /nfs/dbraw/zinc/62/42/12/990624212.db2.gz CDWQYIOBMZHHHY-UHFFFAOYSA-N -1 1 235.218 1.517 20 0 BDADMM CSc1ncc(C(=O)NC(C)(C)C)c(=O)[n-]1 ZINC001542550864 990667043 /nfs/dbraw/zinc/66/70/43/990667043.db2.gz OVYOBNDLMIHIPE-UHFFFAOYSA-N -1 1 241.316 1.432 20 0 BDADMM O=C([N-]Cc1cc(C(F)(F)F)n[nH]1)C(F)F ZINC001123859978 990684626 /nfs/dbraw/zinc/68/46/26/990684626.db2.gz LMUGNTSOATWBPL-UHFFFAOYSA-N -1 1 243.135 1.310 20 0 BDADMM CC(C)(O)CCNC(=O)c1cccc([O-])c1F ZINC001556279437 990818359 /nfs/dbraw/zinc/81/83/59/990818359.db2.gz CVWMRQLHAFSVRJ-UHFFFAOYSA-N -1 1 241.262 1.422 20 0 BDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc([O-])cn1 ZINC001556376358 990823554 /nfs/dbraw/zinc/82/35/54/990823554.db2.gz OJRBVJVULOMLBZ-JZYVYDRUSA-N -1 1 218.256 1.316 20 0 BDADMM CCC(=O)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001137606439 990826662 /nfs/dbraw/zinc/82/66/62/990826662.db2.gz ZIIVGLMPJZTNJL-UHFFFAOYSA-N -1 1 249.266 1.222 20 0 BDADMM CC1(F)CN(C(=O)c2cccc([O-])c2F)C1 ZINC001556453710 990826935 /nfs/dbraw/zinc/82/69/35/990826935.db2.gz ICAYHFSGDWTPPM-UHFFFAOYSA-N -1 1 227.210 1.715 20 0 BDADMM C[C@H](NC(=O)c1cnncc1[O-])c1cccs1 ZINC001138261423 990905738 /nfs/dbraw/zinc/90/57/38/990905738.db2.gz TYPWNUFPVWTAST-ZETCQYMHSA-N -1 1 249.295 1.735 20 0 BDADMM O=C1CCN(Cc2ncccc2[O-])CC[C@@H]1F ZINC001138391751 990930224 /nfs/dbraw/zinc/93/02/24/990930224.db2.gz VUIHRIJEIXVNQT-VIFPVBQESA-N -1 1 238.262 1.290 20 0 BDADMM [O-]c1cccnc1CN1Cc2ncsc2C1 ZINC001138396665 990937610 /nfs/dbraw/zinc/93/76/10/990937610.db2.gz XDRXZNSHAFFNMD-UHFFFAOYSA-N -1 1 233.296 1.760 20 0 BDADMM CC1(C)C[C@H](NC(=O)c2ccc([O-])cn2)CO1 ZINC001558700665 990989082 /nfs/dbraw/zinc/98/90/82/990989082.db2.gz PWGBPLGVSXVJMV-QMMMGPOBSA-N -1 1 236.271 1.085 20 0 BDADMM Cc1cocc1C(=O)Nc1ccncc1[O-] ZINC001558928548 991007512 /nfs/dbraw/zinc/00/75/12/991007512.db2.gz KPKKFESQQSYNLT-UHFFFAOYSA-N -1 1 218.212 1.363 20 0 BDADMM CC1(C)CC[C@@H](C(=O)Nc2c[n-][nH]c2=O)C1 ZINC001558988307 991015059 /nfs/dbraw/zinc/01/50/59/991015059.db2.gz LHYOTVFTSBTCDT-SSDOTTSWSA-N -1 1 223.276 1.880 20 0 BDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001558988414 991016859 /nfs/dbraw/zinc/01/68/59/991016859.db2.gz PJVZUVFIYWEQAM-HQJQHLMTSA-N -1 1 223.276 1.736 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2c(c1)CCC2 ZINC001558988172 991017491 /nfs/dbraw/zinc/01/74/91/991017491.db2.gz FLIAXNOLJFNPMX-UHFFFAOYSA-N -1 1 243.266 1.856 20 0 BDADMM CCN(Cc1ccncc1[O-])[C@@H](C)C(=O)OC ZINC001140279500 991595509 /nfs/dbraw/zinc/59/55/09/991595509.db2.gz OQTVXMVINQVZHO-VIFPVBQESA-N -1 1 238.287 1.171 20 0 BDADMM Cn1cnc2c1CCN(Cc1ccncc1[O-])C2 ZINC001140280317 991597792 /nfs/dbraw/zinc/59/77/92/991597792.db2.gz GMCIHCDWGBRGGT-UHFFFAOYSA-N -1 1 244.298 1.079 20 0 BDADMM CC1(CO)CN(Cc2ccccc2C(=O)[O-])C1 ZINC001140498230 991654535 /nfs/dbraw/zinc/65/45/35/991654535.db2.gz KGPIJBVGIVRLDU-UHFFFAOYSA-N -1 1 235.283 1.199 20 0 BDADMM CN(CC(=O)[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC001598412035 991737485 /nfs/dbraw/zinc/73/74/85/991737485.db2.gz SFASLVHVKNSZAL-SNVBAGLBSA-N -1 1 249.266 1.483 20 0 BDADMM Cc1csc([N-]S(=O)(=O)C2CC2)c1 ZINC001259270737 991922784 /nfs/dbraw/zinc/92/27/84/991922784.db2.gz IHGIKBNXNGHBQV-UHFFFAOYSA-N -1 1 217.315 1.961 20 0 BDADMM O=S(=O)([N-]c1cn(CC2CC2)cn1)C1CC1 ZINC001259271201 991931233 /nfs/dbraw/zinc/93/12/33/991931233.db2.gz FMUUMTZMKNFKDU-UHFFFAOYSA-N -1 1 241.316 1.197 20 0 BDADMM CC(C)C[C@H](Sc1c[nH]nn1)C(=O)[O-] ZINC001591191381 992002853 /nfs/dbraw/zinc/00/28/53/992002853.db2.gz YGSYTXTWTZGGDS-LURJTMIESA-N -1 1 215.278 1.396 20 0 BDADMM O=S(=O)([N-]Cc1cccc(F)c1)C(F)F ZINC001259949277 992047420 /nfs/dbraw/zinc/04/74/20/992047420.db2.gz FMLDEZPAAKNDJM-UHFFFAOYSA-N -1 1 239.218 1.468 20 0 BDADMM Cc1ccc(C[N-]S(=O)(=O)C(F)F)nc1 ZINC001259961181 992065265 /nfs/dbraw/zinc/06/52/65/992065265.db2.gz ZSHZSOOPVQCKMP-UHFFFAOYSA-N -1 1 236.243 1.032 20 0 BDADMM CC(C)CN(Cn1cnc(C(=O)[O-])n1)C1CC1 ZINC001591349092 992332211 /nfs/dbraw/zinc/33/22/11/992332211.db2.gz BIJUCXTXPDZJIW-UHFFFAOYSA-N -1 1 238.291 1.054 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ncccc1F ZINC001569836182 992430127 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/nfs/dbraw/zinc/83/24/33/992832433.db2.gz GFBBTTIOIAHQHH-RXMQYKEDSA-N -1 1 243.646 1.249 20 0 BDADMM O=C([O-])C1CN(CCc2ccc(F)cc2F)C1 ZINC001574660768 992889707 /nfs/dbraw/zinc/88/97/07/992889707.db2.gz AKGLSTCBKXBRBS-UHFFFAOYSA-N -1 1 241.237 1.524 20 0 BDADMM CC1(C)CC=C(C(=O)OCc2nn[n-]n2)CC1 ZINC001263529003 993363351 /nfs/dbraw/zinc/36/33/51/993363351.db2.gz VDRYZIYBRMPSFT-UHFFFAOYSA-N -1 1 236.275 1.379 20 0 BDADMM CN(C)C1CN(C(=O)c2cccc([S-])c2)C1 ZINC000382288801 993447139 /nfs/dbraw/zinc/44/71/39/993447139.db2.gz MGNOSOUNIXWSPJ-UHFFFAOYSA-N -1 1 236.340 1.361 20 0 BDADMM CCC/C(C)=C/C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001263886807 993581456 /nfs/dbraw/zinc/58/14/56/993581456.db2.gz XFJFWTKXSVWANG-TTZKWOQHSA-N -1 1 249.318 1.262 20 0 BDADMM CO[C@H]1CC[C@@H]1N(C)Cc1occc1C(=O)[O-] ZINC000724226359 994063005 /nfs/dbraw/zinc/06/30/05/994063005.db2.gz PPTSTLVIASLFKS-UWVGGRQHSA-N -1 1 239.271 1.587 20 0 BDADMM C[C@@H](N[C@@H]1CC=C(C(=O)[O-])C1)c1ncco1 ZINC001593219485 994299558 /nfs/dbraw/zinc/29/95/58/994299558.db2.gz LWJAPQXLHRWJSW-VXNVDRBHSA-N -1 1 222.244 1.499 20 0 BDADMM C[C@H](N[C@H]1CC=C(C(=O)[O-])C1)c1ncco1 ZINC001593219481 994299685 /nfs/dbraw/zinc/29/96/85/994299685.db2.gz LWJAPQXLHRWJSW-CBAPKCEASA-N -1 1 222.244 1.499 20 0 BDADMM CCO[N-]C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC001290502728 994538306 /nfs/dbraw/zinc/53/83/06/994538306.db2.gz SSABEUGHPAZBIB-UHFFFAOYSA-N -1 1 246.266 1.551 20 0 BDADMM Cc1ncc(NC(=O)c2cccc([O-])c2F)cn1 ZINC001292799106 994626835 /nfs/dbraw/zinc/62/68/35/994626835.db2.gz URPDZDALFLWLDU-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM Cc1n[nH]nc1NC(=O)c1ccc([O-])c(F)c1 ZINC001301572349 995091485 /nfs/dbraw/zinc/09/14/85/995091485.db2.gz RTJMKMLMYIOKQL-UHFFFAOYSA-N -1 1 236.206 1.210 20 0 BDADMM Cc1cc(C=O)c([O-])c(C(=O)NC2(C)COC2)c1 ZINC001302317333 995113856 /nfs/dbraw/zinc/11/38/56/995113856.db2.gz UMKBNUNXLRJKOG-UHFFFAOYSA-N -1 1 249.266 1.032 20 0 BDADMM C[C@H](CC(=O)Nc1c[n-][nH]c1=O)[C@H]1CCCO1 ZINC001306848560 995259653 /nfs/dbraw/zinc/25/96/53/995259653.db2.gz SOEMMWMHSDHSTQ-VXNVDRBHSA-N -1 1 239.275 1.259 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001306847961 995265208 /nfs/dbraw/zinc/26/52/08/995265208.db2.gz GQDJGGKNTSDIRW-QMSLJYSESA-N -1 1 221.260 1.490 20 0 BDADMM CC1(C)CC[C@@H](CN2CC[C@](F)(C(=O)[O-])C2)O1 ZINC001593877240 996699858 /nfs/dbraw/zinc/69/98/58/996699858.db2.gz WLZKEDJPJUUHIF-JOYOIKCWSA-N -1 1 245.294 1.443 20 0 BDADMM COCC1CN(Cc2ccsc2C(=O)[O-])C1 ZINC001599205915 997407055 /nfs/dbraw/zinc/40/70/55/997407055.db2.gz UHFGTUZGCNIANW-UHFFFAOYSA-N -1 1 241.312 1.525 20 0 BDADMM C[C@@]1(O)CCN([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001594068617 997895994 /nfs/dbraw/zinc/89/59/94/997895994.db2.gz OHWSDEJZALVDLZ-GXSJLCMTSA-N -1 1 241.312 1.331 20 0 BDADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ncccn1 ZINC001594209940 998814262 /nfs/dbraw/zinc/81/42/62/998814262.db2.gz KPKHCKABGKYSFL-NXEZZACHSA-N -1 1 249.314 1.550 20 0 BDADMM CO[C@H](C)CN[C@H](C(=O)[O-])c1cccs1 ZINC001599037714 999096027 /nfs/dbraw/zinc/09/60/27/999096027.db2.gz MPZWYDZQNGHWNC-APPZFPTMSA-N -1 1 229.301 1.498 20 0 BDADMM Cc1ncc(CN(CC(=O)[O-])CC(C)C)s1 ZINC000062742765 349491208 /nfs/dbraw/zinc/49/12/08/349491208.db2.gz NTVPTBXZNMRYGP-UHFFFAOYSA-N -1 1 242.344 1.994 20 0 BDADMM O=C(NCc1ccc[nH]1)c1cc(F)ccc1[O-] ZINC000175257911 365541181 /nfs/dbraw/zinc/54/11/81/365541181.db2.gz ZHSNFXUSYOQMRW-UHFFFAOYSA-N -1 1 234.230 1.789 20 0 BDADMM O=C(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])cc1 ZINC000619371103 343987087 /nfs/dbraw/zinc/98/70/87/343987087.db2.gz WRERTJDBFIQWER-GHMZBOCLSA-N -1 1 245.278 1.443 20 0 BDADMM Cc1cc([C@H](C)NC(=O)c2cnn[nH]2)ccc1F ZINC000267670545 178245312 /nfs/dbraw/zinc/24/53/12/178245312.db2.gz CHKCILSTOAWWHC-QMMMGPOBSA-N -1 1 248.261 1.743 20 0 BDADMM C[C@H]1SCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000390796977 398249532 /nfs/dbraw/zinc/24/95/32/398249532.db2.gz SSYLUNMXKCEVOS-GMSGAONNSA-N -1 1 238.312 1.411 20 0 BDADMM C[C@@H](CC(=O)Nc1nnn[n-]1)c1ccc(F)cc1 ZINC000076963936 398250587 /nfs/dbraw/zinc/25/05/87/398250587.db2.gz WBRLIVIHWAUOPA-ZETCQYMHSA-N -1 1 249.249 1.471 20 0 BDADMM C[C@@H](CC(=O)Nc1nn[n-]n1)c1ccc(F)cc1 ZINC000076963936 398250588 /nfs/dbraw/zinc/25/05/88/398250588.db2.gz WBRLIVIHWAUOPA-ZETCQYMHSA-N -1 1 249.249 1.471 20 0 BDADMM CCc1nsc([N-]c2cnn(C)c2C)n1 ZINC000181213292 538960378 /nfs/dbraw/zinc/96/03/78/538960378.db2.gz JOUTUYOKMXSZLY-UHFFFAOYSA-N -1 1 223.305 1.886 20 0 BDADMM Cc1ncc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])s1 ZINC000650501145 398274831 /nfs/dbraw/zinc/27/48/31/398274831.db2.gz PJOXIXJFVZFRID-GMSGAONNSA-N -1 1 240.328 1.889 20 0 BDADMM NC(=O)c1csc(C(=O)[N-]c2cnoc2)c1 ZINC000624009827 346866052 /nfs/dbraw/zinc/86/60/52/346866052.db2.gz XZLQUFMZKSZLPF-UHFFFAOYSA-N -1 1 237.240 1.087 20 0 BDADMM CC[C@H](C)c1cc(=O)n(-c2nnc(C)c(=O)[nH]2)[n-]1 ZINC000634586442 342929884 /nfs/dbraw/zinc/92/98/84/342929884.db2.gz LOXZSVWKWRGDGW-LURJTMIESA-N -1 1 249.274 1.024 20 0 BDADMM O=C(Nc1c([O-])cccc1F)c1cc[nH]n1 ZINC000605439105 344010980 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/nfs/dbraw/zinc/58/90/40/529589040.db2.gz QUYJBGRZNCHATA-WAYWQWQTSA-N -1 1 233.231 1.007 20 0 BDADMM CCc1ccc(C=CC(=O)Nc2nn[n-]n2)o1 ZINC000492568175 529589043 /nfs/dbraw/zinc/58/90/43/529589043.db2.gz QUYJBGRZNCHATA-WAYWQWQTSA-N -1 1 233.231 1.007 20 0 BDADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCC3)CCO1 ZINC000634622052 343020484 /nfs/dbraw/zinc/02/04/84/343020484.db2.gz WCHJECQXLUFYFR-NXEZZACHSA-N -1 1 236.315 1.942 20 0 BDADMM Cc1[n-]n([C@@H]2CCOC(C)(C)C2)c(=O)c1C ZINC000634621174 343021292 /nfs/dbraw/zinc/02/12/92/343021292.db2.gz BHXJZIKWGMJSQY-WCBMZHEXSA-N -1 1 224.304 1.798 20 0 BDADMM C[C@@H]1CCc2c(=O)n(CC(C)(C)CO)[n-]c21 ZINC000634626992 343036508 /nfs/dbraw/zinc/03/65/08/343036508.db2.gz RMVARKJPYHNTHJ-BDAKNGLRSA-N -1 1 224.304 1.249 20 0 BDADMM Cc1[n-]n(CCCn2ccnc2)c(=O)c1C ZINC000634634504 343047388 /nfs/dbraw/zinc/04/73/88/343047388.db2.gz ZZCCOLOYTNDBQD-SECBINFHSA-N -1 1 220.276 1.127 20 0 BDADMM CC(C)(O)Cn1[n-]c2c(c1=O)CCCCC2 ZINC000634634969 343048961 /nfs/dbraw/zinc/04/89/61/343048961.db2.gz QMJIKXAOXXDKPI-SECBINFHSA-N -1 1 224.304 1.536 20 0 BDADMM CC(C)(O)Cn1[n-]c2c(c1=O)CCCCCC2 ZINC000634634842 343048974 /nfs/dbraw/zinc/04/89/74/343048974.db2.gz MACIMUXONDNDCA-JTQLQIEISA-N -1 1 238.331 1.926 20 0 BDADMM CS[C@@H]1CC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000231554517 362032233 /nfs/dbraw/zinc/03/22/33/362032233.db2.gz HIEFIHQGTKSOJG-PHDIDXHHSA-N -1 1 227.251 1.949 20 0 BDADMM O=C([O-])C[C@@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000167808401 343209565 /nfs/dbraw/zinc/20/95/65/343209565.db2.gz ZTVDEQRXGZRTGP-GHMZBOCLSA-N -1 1 225.288 1.271 20 0 BDADMM O=C(NCc1ncc[nH]1)c1cc(F)ccc1[O-] ZINC000080027480 136375121 /nfs/dbraw/zinc/37/51/21/136375121.db2.gz KHCPROBOYBQUAN-UHFFFAOYSA-N -1 1 235.218 1.184 20 0 BDADMM Cc1cnc(CN2C3CCC2(C(=O)[O-])CC3)nc1 ZINC000634697042 343635581 /nfs/dbraw/zinc/63/55/81/343635581.db2.gz XZYUNXFQHBCIKJ-UHFFFAOYSA-N -1 1 247.298 1.367 20 0 BDADMM O=C([O-])C12CCC(CC1)N2Cc1cnns1 ZINC000634695883 343628499 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/nfs/dbraw/zinc/63/16/16/976631616.db2.gz MQCCYDAWHKGAIE-UHFFFAOYSA-N -1 1 237.303 1.561 20 0 BDADMM COC(=O)c1c[n-]c(O[C@@H]2C=CCCC2)n1 ZINC001230280268 977155817 /nfs/dbraw/zinc/15/58/17/977155817.db2.gz PNDVCJHYLOTYMP-MRVPVSSYSA-N -1 1 222.244 1.684 20 0 BDADMM CCC(=O)[C@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230281624 977159411 /nfs/dbraw/zinc/15/94/11/977159411.db2.gz BMXNTZLQIKGFEM-VIFPVBQESA-N -1 1 240.259 1.333 20 0 BDADMM CO[C@H]1CCC[C@H]1C(=O)[N-]OCCOC(C)C ZINC001337280611 978250327 /nfs/dbraw/zinc/25/03/27/978250327.db2.gz YBPSZQYDTOWYOH-MNOVXSKESA-N -1 1 245.319 1.274 20 0 BDADMM [O-]c1cnc(Cl)cc1CN1CCC12COC2 ZINC001233033241 978419271 /nfs/dbraw/zinc/41/92/71/978419271.db2.gz COBIGOWFNLZNJR-UHFFFAOYSA-N -1 1 240.690 1.415 20 0 BDADMM COCCN(CCC(=O)[O-])Cc1ccns1 ZINC001339136565 978800832 /nfs/dbraw/zinc/80/08/32/978800832.db2.gz SYNMOQCOHFXXLJ-UHFFFAOYSA-N -1 1 244.316 1.066 20 0 BDADMM O=C([O-])CCN1CCC[C@@H]1c1ncc[nH]1 ZINC001602013142 978881781 /nfs/dbraw/zinc/88/17/81/978881781.db2.gz QHQKIMLGNKMHQI-MRVPVSSYSA-N -1 1 209.249 1.021 20 0 BDADMM CC[C@@H](N[C@@H](CO)c1ccsc1)C(=O)[O-] ZINC001603586320 979481044 /nfs/dbraw/zinc/48/10/44/979481044.db2.gz VHJNDXPNXFVADY-BDAKNGLRSA-N -1 1 229.301 1.234 20 0 BDADMM C[C@](CC(=O)[O-])(NCCF)c1cccnc1 ZINC001604088091 979570163 /nfs/dbraw/zinc/57/01/63/979570163.db2.gz MGAFDVBUCYLZBN-LLVKDONJSA-N -1 1 226.251 1.331 20 0 BDADMM CCCCCNC(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC001605272418 979847018 /nfs/dbraw/zinc/84/70/18/979847018.db2.gz VQJGIENDXTVYDK-LBPRGKRZSA-N -1 1 244.335 1.136 20 0 BDADMM CCC[C@@H](C)[N-]S(=O)(=O)c1nccs1 ZINC001187912341 980566531 /nfs/dbraw/zinc/56/65/31/980566531.db2.gz FRQYQTHIQQVUJN-SSDOTTSWSA-N -1 1 234.346 1.610 20 0 BDADMM COc1ccncc1[N-]S(=O)(=O)CCCF ZINC001189868063 980824689 /nfs/dbraw/zinc/82/46/89/980824689.db2.gz BWMNADYFMZGVHD-UHFFFAOYSA-N -1 1 248.279 1.192 20 0 BDADMM C=CS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001198566246 982755931 /nfs/dbraw/zinc/75/59/31/982755931.db2.gz FJBYSXZNKYLHPW-UHFFFAOYSA-N -1 1 218.665 1.620 20 0 BDADMM CCCOC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC001589677949 982862920 /nfs/dbraw/zinc/86/29/20/982862920.db2.gz ZWGVCXYMHKGCGD-SECBINFHSA-N -1 1 231.292 1.125 20 0 BDADMM CC(C)COC(=O)Nc1ncccc1[O-] ZINC000082258279 982939881 /nfs/dbraw/zinc/93/98/81/982939881.db2.gz RDCGAYGJFDDWGS-UHFFFAOYSA-N -1 1 210.233 1.992 20 0 BDADMM CN(CCCCC(=O)[O-])[C@@H]1CC(C)(C)OC1=O ZINC001593748012 983356839 /nfs/dbraw/zinc/35/68/39/983356839.db2.gz YHJGDTOJEKYFPM-SECBINFHSA-N -1 1 243.303 1.267 20 0 BDADMM COc1ncncc1-c1cccc(F)c1[O-] ZINC001242350627 983618668 /nfs/dbraw/zinc/61/86/68/983618668.db2.gz IVJNYXPPHRNKID-UHFFFAOYSA-N -1 1 220.203 1.997 20 0 BDADMM CC[N@@H+](CC1(CC(=O)[O-])CC1)[C@H](C)C(=O)[O-] ZINC001596292815 983713476 /nfs/dbraw/zinc/71/34/76/983713476.db2.gz UANMVHDFFBWSHU-MRVPVSSYSA-N -1 1 229.276 1.036 20 0 BDADMM CCCC[C@H](C(=O)N(C)c1nn[n-]n1)C(C)C ZINC001331463905 974730283 /nfs/dbraw/zinc/73/02/83/974730283.db2.gz WGSVHCGGHKBZJH-VIFPVBQESA-N -1 1 239.323 1.625 20 0 BDADMM C[C@@H]1C[C@@H](O)CN1Cc1cc(F)c([O-])cc1F ZINC001144647431 972908549 /nfs/dbraw/zinc/90/85/49/972908549.db2.gz FROLMTFGWFFZFD-VXNVDRBHSA-N -1 1 243.253 1.626 20 0 BDADMM O=C1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144665386 972921687 /nfs/dbraw/zinc/92/16/87/972921687.db2.gz ACCBWRPFVNDREU-UHFFFAOYSA-N -1 1 227.210 1.445 20 0 BDADMM C[C@@H]1C[C@@H](NCc2ncc(C(=O)[O-])s2)CO1 ZINC000402230528 973604207 /nfs/dbraw/zinc/60/42/07/973604207.db2.gz URVCDECFMTXMKF-RNFRBKRXSA-N -1 1 242.300 1.108 20 0 BDADMM CC[C@@H]1CN(C/C=C(\C)C(=O)[O-])[C@@H](CC)CO1 ZINC000403856044 973692391 /nfs/dbraw/zinc/69/23/91/973692391.db2.gz HRFXWLUBFCIQTC-RBWIOGKGSA-N -1 1 241.331 1.907 20 0 BDADMM O=[P@]([O-])(O)CCOCCOC1CCCC1 ZINC001224601110 973785386 /nfs/dbraw/zinc/78/53/86/973785386.db2.gz DNONSUMGPRRYBY-UHFFFAOYSA-N -1 1 238.220 1.140 20 0 BDADMM COC(C)(C)C[C@H](C)OCC[P@](=O)([O-])O ZINC001224602105 973788228 /nfs/dbraw/zinc/78/82/28/973788228.db2.gz NZXDOLIKBUEWPC-QMMMGPOBSA-N -1 1 240.236 1.384 20 0 BDADMM C[C@@H](Cc1ccccc1)OCC[P@](=O)([O-])O ZINC001224607807 973792047 /nfs/dbraw/zinc/79/20/47/973792047.db2.gz WBTFNFBUNFMAIT-JTQLQIEISA-N -1 1 244.227 1.812 20 0 BDADMM Cc1nonc1[N-]c1ccc(CO)cc1F ZINC001216270850 971013023 /nfs/dbraw/zinc/01/30/23/971013023.db2.gz SIXZDMZIDYEKGN-UHFFFAOYSA-N -1 1 223.207 1.753 20 0 BDADMM C[C@H]1CCCN(Cc2cc(C(=O)[O-])n[nH]2)[C@H]1C ZINC001331983107 971025809 /nfs/dbraw/zinc/02/58/09/971025809.db2.gz CRQJKVSDEULXRK-IUCAKERBSA-N -1 1 237.303 1.728 20 0 BDADMM CC(C)c1cnc(CN[C@@H](C)[C@H](C)C(=O)[O-])o1 ZINC001329680054 973880560 /nfs/dbraw/zinc/88/05/60/973880560.db2.gz YCHBNUCPFSIKGX-IUCAKERBSA-N -1 1 240.303 1.997 20 0 BDADMM CCC[C@H](CC)[NH2+]CCP(=O)([O-])[O-] ZINC001257247194 971140883 /nfs/dbraw/zinc/14/08/83/971140883.db2.gz QNHOLRHXRVZKPP-QMMMGPOBSA-N -1 1 209.226 1.332 20 0 BDADMM Cc1ccc([O-])c(-c2nc(C)nc(N(C)C)n2)c1 ZINC001244403110 971256758 /nfs/dbraw/zinc/25/67/58/971256758.db2.gz PKNYHMQQTZENOK-UHFFFAOYSA-N -1 1 244.298 1.927 20 0 BDADMM O=c1[n-]c2nc(=O)[nH]c(NC3CCCCC3)c2[nH]1 ZINC001257451002 971370937 /nfs/dbraw/zinc/37/09/37/971370937.db2.gz BAGOKXDZJSSESM-UHFFFAOYSA-N -1 1 249.274 1.460 20 0 BDADMM O=c1nc2nc[nH]c2c(N[C@@H]2CCCOCC2)[n-]1 ZINC001170788978 971826724 /nfs/dbraw/zinc/82/67/24/971826724.db2.gz WIUBTNCZRGQNPL-SSDOTTSWSA-N -1 1 249.274 1.040 20 0 BDADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001136237457 972104243 /nfs/dbraw/zinc/10/42/43/972104243.db2.gz ZUBVUPJWXFYXMM-SFYZADRCSA-N -1 1 206.245 1.173 20 0 BDADMM CO[C@@H](C[N-]C(=O)C(F)(F)F)C1CCCC1 ZINC000692965854 957158960 /nfs/dbraw/zinc/15/89/60/957158960.db2.gz MZQNEYJMCAXBPC-QMMMGPOBSA-N -1 1 239.237 1.870 20 0 BDADMM O=C([O-])[C@H](NC[C@@H]1CCCO1)c1ccsc1 ZINC000037956674 957337819 /nfs/dbraw/zinc/33/78/19/957337819.db2.gz CJMZTBUKVXDRKK-VHSXEESVSA-N -1 1 241.312 1.642 20 0 BDADMM Cn1ccnc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876859 957624066 /nfs/dbraw/zinc/62/40/66/957624066.db2.gz JLKZYZBZXHZRRR-GFCCVEGCSA-N -1 1 237.303 1.107 20 0 BDADMM Cn1ccnc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000062876858 957624158 /nfs/dbraw/zinc/62/41/58/957624158.db2.gz JLKZYZBZXHZRRR-LBPRGKRZSA-N -1 1 237.303 1.107 20 0 BDADMM CCC[C@H](C(=O)Nc1nnn[n-]1)c1ccccn1 ZINC001136946852 972300881 /nfs/dbraw/zinc/30/08/81/972300881.db2.gz OSVOBCJOKKGAGX-QMMMGPOBSA-N -1 1 246.274 1.117 20 0 BDADMM CCC[C@H](C(=O)Nc1nn[n-]n1)c1ccccn1 ZINC001136946852 972300884 /nfs/dbraw/zinc/30/08/84/972300884.db2.gz OSVOBCJOKKGAGX-QMMMGPOBSA-N -1 1 246.274 1.117 20 0 BDADMM Cc1ccc(CN(C)C(C)(C)C(=O)[O-])nc1 ZINC000088136535 958046389 /nfs/dbraw/zinc/04/63/89/958046389.db2.gz QVZZYHVORHMZCJ-UHFFFAOYSA-N -1 1 222.288 1.685 20 0 BDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCCOCC1 ZINC000091782310 958152145 /nfs/dbraw/zinc/15/21/45/958152145.db2.gz BUIZTSIKBZDSPC-SECBINFHSA-N -1 1 239.271 1.761 20 0 BDADMM Cc1nonc1[N-]c1cccc(CO)c1F ZINC001211428885 958172586 /nfs/dbraw/zinc/17/25/86/958172586.db2.gz BDQAUKXOPOHGLS-UHFFFAOYSA-N -1 1 223.207 1.753 20 0 BDADMM CCCS(=O)(=O)[N-][C@@H]1CCCCC1(F)F ZINC000398361145 958229885 /nfs/dbraw/zinc/22/98/85/958229885.db2.gz DPYXDVFGBAJQSH-MRVPVSSYSA-N -1 1 241.303 1.894 20 0 BDADMM C/C(=C\C(=O)[O-])CN1CCOc2ccccc2C1 ZINC000111457911 958433840 /nfs/dbraw/zinc/43/38/40/958433840.db2.gz FEYLKIQCDMQZNK-DHZHZOJOSA-N -1 1 247.294 1.912 20 0 BDADMM O=C(Nc1cccc(F)c1[O-])NC1CC1 ZINC000707925630 958841357 /nfs/dbraw/zinc/84/13/57/958841357.db2.gz PJQFSWJUAJYFDU-UHFFFAOYSA-N -1 1 210.208 1.815 20 0 BDADMM C/C(=C/C(=O)[O-])CN1C[C@@H](C)O[C@@H](C)C1 ZINC000215634719 959758934 /nfs/dbraw/zinc/75/89/34/959758934.db2.gz FSEWXXGSKCBCTL-NOQGZOHOSA-N -1 1 213.277 1.127 20 0 BDADMM COCC(=O)Nc1ccc([O-])c(F)c1F ZINC001140651812 960475168 /nfs/dbraw/zinc/47/51/68/960475168.db2.gz BFSQNRCKFGHLLS-UHFFFAOYSA-N -1 1 217.171 1.255 20 0 BDADMM O=C(c1cnncc1[O-])N1Cc2ccccc2C1 ZINC001144042945 972520373 /nfs/dbraw/zinc/52/03/73/972520373.db2.gz NXTUDQZXEPIUME-UHFFFAOYSA-N -1 1 241.250 1.338 20 0 BDADMM [O-]c1ccc(CN2CC(F)(CO)C2)c(F)c1F ZINC001140890065 960665949 /nfs/dbraw/zinc/66/59/49/960665949.db2.gz TXPVQJVXPCASOS-UHFFFAOYSA-N -1 1 247.216 1.187 20 0 BDADMM [O-]c1ccc(CN2CCC[C@H](O)C2)c(F)c1F ZINC001140887897 960669725 /nfs/dbraw/zinc/66/97/25/960669725.db2.gz IEVPDYFAOWLODR-VIFPVBQESA-N -1 1 243.253 1.627 20 0 BDADMM COC1(C)CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140889944 960672366 /nfs/dbraw/zinc/67/23/66/960672366.db2.gz QWRHCXXDPHHSGG-UHFFFAOYSA-N -1 1 243.253 1.891 20 0 BDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC1 ZINC001142680726 961616486 /nfs/dbraw/zinc/61/64/86/961616486.db2.gz VLQSSVNDWGSWRX-UHFFFAOYSA-N -1 1 243.266 1.926 20 0 BDADMM O=c1nc2nc[nH]c2c(N[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC001167910611 961816933 /nfs/dbraw/zinc/81/69/33/961816933.db2.gz VHGZVZRWXPEOIK-KVSKUHBBSA-N -1 1 231.259 1.269 20 0 BDADMM O=C(c1ccc([O-])cn1)N1CC[C@@H](C2CC2)C1 ZINC001151207229 962254136 /nfs/dbraw/zinc/25/41/36/962254136.db2.gz ZWTVAAPBPJIUNX-SNVBAGLBSA-N -1 1 232.283 1.659 20 0 BDADMM CCCCNc1nc(C)cc2c1C(=O)[N-]C2=O ZINC001154827861 962862365 /nfs/dbraw/zinc/86/23/65/962862365.db2.gz IVECZLZFGULNPR-UHFFFAOYSA-N -1 1 233.271 1.486 20 0 BDADMM Cc1cc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)no1 ZINC000300144458 962984808 /nfs/dbraw/zinc/98/48/08/962984808.db2.gz SWCJUGAGZQZDIZ-PSASIEDQSA-N -1 1 238.287 1.668 20 0 BDADMM CC[S@](C)(=O)=NC(=O)c1cccc([O-])c1F ZINC001156269605 963298823 /nfs/dbraw/zinc/29/88/23/963298823.db2.gz JQLXUSMKYYGKPD-INIZCTEOSA-N -1 1 245.275 1.789 20 0 BDADMM Cc1cc2ccccc2c(N[C@@H]2CO[N-]C2=O)n1 ZINC001156694724 963438251 /nfs/dbraw/zinc/43/82/51/963438251.db2.gz ITNDRECSUATHNA-LLVKDONJSA-N -1 1 243.266 1.385 20 0 BDADMM CC[C@H](C)CC[C@@H](C)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227570387 963538452 /nfs/dbraw/zinc/53/84/52/963538452.db2.gz JLLGSIAQVHARMO-JGVFFNPUSA-N -1 1 241.291 1.876 20 0 BDADMM CC[C@H](O)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000314586766 963772212 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ZINC001594982729 982781764 /nfs/dbraw/zinc/78/17/64/982781764.db2.gz SNICWQDFSXVANN-ABRRARGCSA-N -1 1 243.303 1.291 20 0 BDADMM CC(C)[C@H](C)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001589435674 982790325 /nfs/dbraw/zinc/79/03/25/982790325.db2.gz MSEBKVIEAOTQRX-MRVPVSSYSA-N -1 1 247.306 1.361 20 0 BDADMM CC(C)[C@H](C)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001589435674 982790335 /nfs/dbraw/zinc/79/03/35/982790335.db2.gz MSEBKVIEAOTQRX-MRVPVSSYSA-N -1 1 247.306 1.361 20 0 BDADMM CC(C)[C@H](C)N(C)C(=O)c1cnncc1[O-] ZINC001353457922 982866251 /nfs/dbraw/zinc/86/62/51/982866251.db2.gz KYFMZBDEUZPPRJ-QMMMGPOBSA-N -1 1 223.276 1.299 20 0 BDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589987056 982888685 /nfs/dbraw/zinc/88/86/85/982888685.db2.gz CFCZVJZTUWALJN-SSDOTTSWSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589987056 982888692 /nfs/dbraw/zinc/88/86/92/982888692.db2.gz CFCZVJZTUWALJN-SSDOTTSWSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590216856 982911635 /nfs/dbraw/zinc/91/16/35/982911635.db2.gz ALUUJTBLUBUNNG-POYBYMJQSA-N -1 1 248.242 1.159 20 0 BDADMM C[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590216856 982911650 /nfs/dbraw/zinc/91/16/50/982911650.db2.gz ALUUJTBLUBUNNG-POYBYMJQSA-N -1 1 248.242 1.159 20 0 BDADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)[C@H]1C ZINC001590274033 982914569 /nfs/dbraw/zinc/91/45/69/982914569.db2.gz FJDBEAVSAVHTTF-IUCAKERBSA-N -1 1 244.302 1.496 20 0 BDADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)[C@H]1C ZINC001590274033 982914588 /nfs/dbraw/zinc/91/45/88/982914588.db2.gz FJDBEAVSAVHTTF-IUCAKERBSA-N -1 1 244.302 1.496 20 0 BDADMM CCC(F)(F)Cn1ccnc1-c1nnn[n-]1 ZINC001590452194 982947099 /nfs/dbraw/zinc/94/70/99/982947099.db2.gz SZRZRNNMHBFDAC-UHFFFAOYSA-N -1 1 228.206 1.109 20 0 BDADMM CCC(F)(F)Cn1ccnc1-c1nn[n-]n1 ZINC001590452194 982947114 /nfs/dbraw/zinc/94/71/14/982947114.db2.gz SZRZRNNMHBFDAC-UHFFFAOYSA-N -1 1 228.206 1.109 20 0 BDADMM CC/C=C/CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001590533328 982951509 /nfs/dbraw/zinc/95/15/09/982951509.db2.gz MLRSMTOSVDVJOG-ONEGZZNKSA-N -1 1 246.274 1.392 20 0 BDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590472555 982952752 /nfs/dbraw/zinc/95/27/52/982952752.db2.gz GGHJGOVLXJXZCE-SECBINFHSA-N -1 1 244.302 1.862 20 0 BDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590472555 982952768 /nfs/dbraw/zinc/95/27/68/982952768.db2.gz GGHJGOVLXJXZCE-SECBINFHSA-N -1 1 244.302 1.862 20 0 BDADMM CC/C=C/CNc1ccnc(-c2nnn[n-]2)c1 ZINC001590532292 982954567 /nfs/dbraw/zinc/95/45/67/982954567.db2.gz SCKKKIWREJINLV-ONEGZZNKSA-N -1 1 230.275 1.640 20 0 BDADMM CC/C=C/CNc1ccnc(-c2nn[n-]n2)c1 ZINC001590532292 982954575 /nfs/dbraw/zinc/95/45/75/982954575.db2.gz SCKKKIWREJINLV-ONEGZZNKSA-N -1 1 230.275 1.640 20 0 BDADMM CCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001590600933 982965265 /nfs/dbraw/zinc/96/52/65/982965265.db2.gz DMCDMCPIAXAPNQ-UHFFFAOYSA-N -1 1 247.306 1.283 20 0 BDADMM CCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001590600933 982965269 /nfs/dbraw/zinc/96/52/69/982965269.db2.gz DMCDMCPIAXAPNQ-UHFFFAOYSA-N -1 1 247.306 1.283 20 0 BDADMM CCON(CC)c1cccc(-c2nnn[n-]2)n1 ZINC001590818739 982990810 /nfs/dbraw/zinc/99/08/10/982990810.db2.gz JQPXWDGWEFMNAF-UHFFFAOYSA-N -1 1 234.263 1.040 20 0 BDADMM CCON(CC)c1cccc(-c2nn[n-]n2)n1 ZINC001590818739 982990820 /nfs/dbraw/zinc/99/08/20/982990820.db2.gz JQPXWDGWEFMNAF-UHFFFAOYSA-N -1 1 234.263 1.040 20 0 BDADMM CC(C)c1oncc1C(=O)[N-]c1nnco1 ZINC001199745477 983004912 /nfs/dbraw/zinc/00/49/12/983004912.db2.gz AYQALPYACUARET-UHFFFAOYSA-N -1 1 222.204 1.433 20 0 BDADMM CN(CC(C)(C)C)c1cc(-c2nnn[n-]2)ncn1 ZINC001591042442 983027578 /nfs/dbraw/zinc/02/75/78/983027578.db2.gz HVIRNFUBAGDAMK-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CN(CC(C)(C)C)c1cc(-c2nn[n-]n2)ncn1 ZINC001591042442 983027588 /nfs/dbraw/zinc/02/75/88/983027588.db2.gz HVIRNFUBAGDAMK-UHFFFAOYSA-N -1 1 247.306 1.139 20 0 BDADMM CO[C@@H](C)CCNc1cccnc1-c1nnn[n-]1 ZINC001591321575 983056743 /nfs/dbraw/zinc/05/67/43/983056743.db2.gz GBLJPRYZYHGWJP-QMMMGPOBSA-N -1 1 248.290 1.099 20 0 BDADMM CO[C@@H](C)CCNc1cccnc1-c1nn[n-]n1 ZINC001591321575 983056748 /nfs/dbraw/zinc/05/67/48/983056748.db2.gz GBLJPRYZYHGWJP-QMMMGPOBSA-N -1 1 248.290 1.099 20 0 BDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001591730118 983086786 /nfs/dbraw/zinc/08/67/86/983086786.db2.gz UPUCMOHMRBBHOG-SSDOTTSWSA-N -1 1 247.306 1.503 20 0 BDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001591730118 983086793 /nfs/dbraw/zinc/08/67/93/983086793.db2.gz UPUCMOHMRBBHOG-SSDOTTSWSA-N -1 1 247.306 1.503 20 0 BDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC1CC1 ZINC001592113477 983117182 /nfs/dbraw/zinc/11/71/82/983117182.db2.gz GXWZCZNGVBOEGN-UHFFFAOYSA-N -1 1 244.302 1.782 20 0 BDADMM Cc1ccc(N2CC=CCC2)nc1-c1nnn[n-]1 ZINC001592174353 983118768 /nfs/dbraw/zinc/11/87/68/983118768.db2.gz BOXBNFWFXGKWDI-UHFFFAOYSA-N -1 1 242.286 1.336 20 0 BDADMM Cc1ccc(N2CC=CCC2)nc1-c1nn[n-]n1 ZINC001592174353 983118773 /nfs/dbraw/zinc/11/87/73/983118773.db2.gz BOXBNFWFXGKWDI-UHFFFAOYSA-N -1 1 242.286 1.336 20 0 BDADMM Cc1ccn(CCC2CC2)c(=O)c1-c1nn[n-]n1 ZINC001592266154 983133441 /nfs/dbraw/zinc/13/34/41/983133441.db2.gz OJMBUDCMCWPSSZ-UHFFFAOYSA-N -1 1 245.286 1.137 20 0 BDADMM Cc1nc(-c2nnn[n-]2)n(CCCF)c1C ZINC001592339500 983140855 /nfs/dbraw/zinc/14/08/55/983140855.db2.gz OBFMDXNPJUYRJG-UHFFFAOYSA-N -1 1 224.243 1.040 20 0 BDADMM Cc1nc(-c2nn[n-]n2)n(CCCF)c1C ZINC001592339500 983140859 /nfs/dbraw/zinc/14/08/59/983140859.db2.gz OBFMDXNPJUYRJG-UHFFFAOYSA-N -1 1 224.243 1.040 20 0 BDADMM Cc1nc(N[C@@H]2CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592382170 983159363 /nfs/dbraw/zinc/15/93/63/983159363.db2.gz JMTVDZZIPAZYTD-HTRCEHHLSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1nc(N[C@@H]2CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592382170 983159371 /nfs/dbraw/zinc/15/93/71/983159371.db2.gz JMTVDZZIPAZYTD-HTRCEHHLSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCC1 ZINC001592500502 983173690 /nfs/dbraw/zinc/17/36/90/983173690.db2.gz CSKLWEKCYPEVAE-UHFFFAOYSA-N -1 1 248.242 1.477 20 0 BDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCC1 ZINC001592500502 983173696 /nfs/dbraw/zinc/17/36/96/983173696.db2.gz CSKLWEKCYPEVAE-UHFFFAOYSA-N -1 1 248.242 1.477 20 0 BDADMM F[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592632477 983188113 /nfs/dbraw/zinc/18/81/13/983188113.db2.gz XQPIHFVGRSSRFT-MRVPVSSYSA-N -1 1 248.265 1.200 20 0 BDADMM F[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592632477 983188126 /nfs/dbraw/zinc/18/81/26/983188126.db2.gz XQPIHFVGRSSRFT-MRVPVSSYSA-N -1 1 248.265 1.200 20 0 BDADMM FC[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001592632152 983190685 /nfs/dbraw/zinc/19/06/85/983190685.db2.gz QRDATELZJHPIHO-QMMMGPOBSA-N -1 1 248.265 1.058 20 0 BDADMM FC[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001592632152 983190694 /nfs/dbraw/zinc/19/06/94/983190694.db2.gz QRDATELZJHPIHO-QMMMGPOBSA-N -1 1 248.265 1.058 20 0 BDADMM O=c1ccc(-c2nn[n-]n2)cn1[C@@H]1C=CCCC1 ZINC001593496549 983286984 /nfs/dbraw/zinc/28/69/84/983286984.db2.gz PGDJFNMUQJQAKN-SNVBAGLBSA-N -1 1 243.270 1.310 20 0 BDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]2C2CC2)c1 ZINC001593549672 983297108 /nfs/dbraw/zinc/29/71/08/983297108.db2.gz AHZHIHNPRXONEH-JTQLQIEISA-N -1 1 242.286 1.250 20 0 BDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]2C2CC2)c1 ZINC001593549672 983297114 /nfs/dbraw/zinc/29/71/14/983297114.db2.gz AHZHIHNPRXONEH-JTQLQIEISA-N -1 1 242.286 1.250 20 0 BDADMM c1coc(SCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001593588791 983307249 /nfs/dbraw/zinc/30/72/49/983307249.db2.gz GNEGEIOGHDPCEA-UHFFFAOYSA-N -1 1 249.255 1.740 20 0 BDADMM c1coc(SCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001593588791 983307259 /nfs/dbraw/zinc/30/72/59/983307259.db2.gz GNEGEIOGHDPCEA-UHFFFAOYSA-N -1 1 249.255 1.740 20 0 BDADMM CCc1ncc(CN2CCC(C(=O)[O-])CC2)cn1 ZINC001593652450 983328675 /nfs/dbraw/zinc/32/86/75/983328675.db2.gz NYNORNREHUCILN-UHFFFAOYSA-N -1 1 249.314 1.336 20 0 BDADMM CN(CC(=O)[O-])c1cc[nH+]c2c([O-])cccc12 ZINC001593723524 983344277 /nfs/dbraw/zinc/34/42/77/983344277.db2.gz HAKVPWZRLMFHAJ-UHFFFAOYSA-N -1 1 232.239 1.461 20 0 BDADMM C[N@@H+](CCC(=O)[O-])Cc1cc(C(=O)[O-])cs1 ZINC001593740102 983354490 /nfs/dbraw/zinc/35/44/90/983354490.db2.gz UZNXWRYOYMVFGX-UHFFFAOYSA-N -1 1 243.284 1.353 20 0 BDADMM CN(CCCC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC001593747690 983357514 /nfs/dbraw/zinc/35/75/14/983357514.db2.gz NTPPEYKLFJGCLT-UHFFFAOYSA-N -1 1 247.298 1.860 20 0 BDADMM Cn1cccc(-c2ccc(F)cc2[O-])c1=O ZINC001242219106 983419671 /nfs/dbraw/zinc/41/96/71/983419671.db2.gz XNJVFBWBNCJDGJ-UHFFFAOYSA-N -1 1 219.215 1.897 20 0 BDADMM NCc1ncc(-c2cccc(C(=O)[O-])c2F)cn1 ZINC001242379052 983669129 /nfs/dbraw/zinc/66/91/29/983669129.db2.gz GIFLSUJMXKNWDY-UHFFFAOYSA-N -1 1 247.229 1.440 20 0 BDADMM O=C(c1cnncc1[O-])N1CCCC2(CC2)C1 ZINC001358127227 983828825 /nfs/dbraw/zinc/82/88/25/983828825.db2.gz GVOPYALQEYMASB-UHFFFAOYSA-N -1 1 233.271 1.198 20 0 BDADMM O=C(c1cnncc1[O-])N1CCC12CCCC2 ZINC001358352625 983856269 /nfs/dbraw/zinc/85/62/69/983856269.db2.gz CXQGJWSXLSRZKU-UHFFFAOYSA-N -1 1 233.271 1.341 20 0 BDADMM COc1cccc(-c2noc(-c3cn[n-]n3)n2)c1 ZINC001212798983 984158511 /nfs/dbraw/zinc/15/85/11/984158511.db2.gz CPCYBFAUPMOLMA-UHFFFAOYSA-N -1 1 243.226 1.530 20 0 BDADMM Fc1ccccc1-c1noc(-c2cn[n-]n2)n1 ZINC001212799229 984165371 /nfs/dbraw/zinc/16/53/71/984165371.db2.gz PLPKDLRXJZGYFU-UHFFFAOYSA-N -1 1 231.190 1.661 20 0 BDADMM Cc1nnc(-c2cc([O-])cnc2Cl)o1 ZINC001253444937 984172743 /nfs/dbraw/zinc/17/27/43/984172743.db2.gz ZXSMAGJRFCEDAY-UHFFFAOYSA-N -1 1 211.608 1.799 20 0 BDADMM c1csc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001242896992 984255243 /nfs/dbraw/zinc/25/52/43/984255243.db2.gz FCFAWRZLCWBXGI-UHFFFAOYSA-N -1 1 230.256 1.385 20 0 BDADMM c1csc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001242896992 984255251 /nfs/dbraw/zinc/25/52/51/984255251.db2.gz FCFAWRZLCWBXGI-UHFFFAOYSA-N -1 1 230.256 1.385 20 0 BDADMM COc1cncc(C(=O)[N-]c2conc2C)n1 ZINC001437254097 984349202 /nfs/dbraw/zinc/34/92/02/984349202.db2.gz SWVMOSDJWXGXDG-UHFFFAOYSA-N -1 1 234.215 1.034 20 0 BDADMM CC(=CC(=O)N(C)c1nn[n-]n1)c1ccccc1 ZINC001437665560 984355943 /nfs/dbraw/zinc/35/59/43/984355943.db2.gz JTYONFJYBBSVII-HJWRWDBZSA-N -1 1 243.270 1.266 20 0 BDADMM Cc1ccc(NC(=O)c2cnncc2[O-])nc1 ZINC001441123846 984469721 /nfs/dbraw/zinc/46/97/21/984469721.db2.gz PLBQBPZVZUSUFZ-UHFFFAOYSA-N -1 1 230.227 1.138 20 0 BDADMM O=C(NCCn1cccc1)c1ccc(F)c([O-])c1 ZINC001444858272 984574426 /nfs/dbraw/zinc/57/44/26/984574426.db2.gz QDQCQFVKKDKSFL-UHFFFAOYSA-N -1 1 248.257 1.763 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CC(C(F)F)C1 ZINC001446082822 984628594 /nfs/dbraw/zinc/62/85/94/984628594.db2.gz BEJIAWCEWVXPEO-UHFFFAOYSA-N -1 1 245.200 1.868 20 0 BDADMM C[C@@H](NC(=O)c1cnncc1[O-])c1cccs1 ZINC001447907205 984800179 /nfs/dbraw/zinc/80/01/79/984800179.db2.gz TYPWNUFPVWTAST-SSDOTTSWSA-N -1 1 249.295 1.735 20 0 BDADMM CCC(CC)(NC(=O)C=C1CCC1)c1nn[n-]n1 ZINC001449014817 984825367 /nfs/dbraw/zinc/82/53/67/984825367.db2.gz MPBKMBUNXWMUJP-UHFFFAOYSA-N -1 1 249.318 1.442 20 0 BDADMM O=C(c1ccc(F)c([O-])c1)N1CCCCN1 ZINC001449137118 984825856 /nfs/dbraw/zinc/82/58/56/984825856.db2.gz JZHIAWZSPUFOSJ-UHFFFAOYSA-N -1 1 224.235 1.272 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccns1 ZINC001450487383 984873698 /nfs/dbraw/zinc/87/36/98/984873698.db2.gz PVQWYDNYGLWQKP-UHFFFAOYSA-N -1 1 224.245 1.133 20 0 BDADMM O=C(N[C@@H]1CC12CC2)c1ccc([O-])cn1 ZINC001451985530 984916060 /nfs/dbraw/zinc/91/60/60/984916060.db2.gz VVPJOWBDDXBALU-SECBINFHSA-N -1 1 204.229 1.070 20 0 BDADMM CO[C@@H](C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001453002751 984977090 /nfs/dbraw/zinc/97/70/90/984977090.db2.gz AIULCAVBAFJVPM-ZETCQYMHSA-N -1 1 227.235 1.296 20 0 BDADMM CC1=C(c2ccco2)C[N@@H+](CC(=O)[O-])CC1 ZINC001589256861 985037901 /nfs/dbraw/zinc/03/79/01/985037901.db2.gz ZFCMFTRUHOUEAG-UHFFFAOYSA-N -1 1 221.256 1.843 20 0 BDADMM CC1=C(c2ccco2)CN(CC(=O)[O-])CC1 ZINC001589256861 985037918 /nfs/dbraw/zinc/03/79/18/985037918.db2.gz ZFCMFTRUHOUEAG-UHFFFAOYSA-N -1 1 221.256 1.843 20 0 BDADMM CN(CCCF)C(=O)c1cccc([O-])c1F ZINC001455931651 985098989 /nfs/dbraw/zinc/09/89/89/985098989.db2.gz IQIBGWPJBNSKGY-UHFFFAOYSA-N -1 1 229.226 1.963 20 0 BDADMM O=C(CCCC(=O)C1CC1)Nc1c[n-][nH]c1=O ZINC001457823137 985237735 /nfs/dbraw/zinc/23/77/35/985237735.db2.gz NRVVHMMXRPWOQS-UHFFFAOYSA-N -1 1 237.259 1.203 20 0 BDADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)C[C@@H]1O ZINC001594501113 985684198 /nfs/dbraw/zinc/68/41/98/985684198.db2.gz LVAWAGWNKGZNPI-JEZHCXPESA-N -1 1 241.312 1.186 20 0 BDADMM Cc1[nH]c(CN2CCC(F)CC2)cc1C(=O)[O-] ZINC001599962301 985810968 /nfs/dbraw/zinc/81/09/68/985810968.db2.gz GDDPXPILIUFDPV-UHFFFAOYSA-N -1 1 240.278 1.955 20 0 BDADMM Cn1nccc(-c2ccc(Cl)cc2[O-])c1=O ZINC001244470851 986141279 /nfs/dbraw/zinc/14/12/79/986141279.db2.gz ADKUIGZFGBUODI-UHFFFAOYSA-N -1 1 236.658 1.806 20 0 BDADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)[C@H]1C ZINC001594539973 986173991 /nfs/dbraw/zinc/17/39/91/986173991.db2.gz WJSCNZLNXSHHNX-SFYZADRCSA-N -1 1 208.261 1.553 20 0 BDADMM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCOC2)o1 ZINC001262159415 986538502 /nfs/dbraw/zinc/53/85/02/986538502.db2.gz UYHBCSXXOQAWGX-ZBJFTSOASA-N -1 1 237.255 1.256 20 0 BDADMM CCc1nnc(-c2c(CO)cnc(C)c2[O-])o1 ZINC001255060537 986804188 /nfs/dbraw/zinc/80/41/88/986804188.db2.gz BTMYKSAGMNPWHO-UHFFFAOYSA-N -1 1 235.243 1.200 20 0 BDADMM O=C(c1ccc([O-])cn1)N1CC2(C1)CCOCC2 ZINC001466786600 986824104 /nfs/dbraw/zinc/82/41/04/986824104.db2.gz ZIVLREVMKZNZIN-UHFFFAOYSA-N -1 1 248.282 1.040 20 0 BDADMM C=C=CCNC(=O)c1c([O-])cccc1F ZINC001468374881 986901093 /nfs/dbraw/zinc/90/10/93/986901093.db2.gz ICVUSDZGQZWPMN-UHFFFAOYSA-N -1 1 207.204 1.602 20 0 BDADMM COC(=O)[C@H](CC(C)C)N(C)C[C@@H](C)C(=O)[O-] ZINC001593807214 986931976 /nfs/dbraw/zinc/93/19/76/986931976.db2.gz OOILJEBVYJAQIV-ZJUUUORDSA-N -1 1 245.319 1.227 20 0 BDADMM Cc1ncncc1C(=O)Nc1c([O-])cccc1F ZINC001469929585 987004282 /nfs/dbraw/zinc/00/42/82/987004282.db2.gz UNUPOSNVBMBDDE-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM [O-]c1cnccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255585360 987035516 /nfs/dbraw/zinc/03/55/16/987035516.db2.gz DOMQDKIRCXPNOJ-ZETCQYMHSA-N -1 1 233.227 1.341 20 0 BDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cn2)[C@H](C)O1 ZINC001471111199 987076160 /nfs/dbraw/zinc/07/61/60/987076160.db2.gz AJTLHOIZRRTMRZ-VHSKPIJISA-N -1 1 236.271 1.083 20 0 BDADMM CC(C)(O)C(C)(C)NC(=O)c1ccc([O-])cn1 ZINC001471331947 987088884 /nfs/dbraw/zinc/08/88/84/987088884.db2.gz ISQXZIDHSIGDQN-UHFFFAOYSA-N -1 1 238.287 1.067 20 0 BDADMM Cc1cc(=O)n(-c2cc(F)nc(F)c2)[n-]1 ZINC001245928160 987185003 /nfs/dbraw/zinc/18/50/03/987185003.db2.gz PBZSFFZYUWELCO-UHFFFAOYSA-N -1 1 211.171 1.560 20 0 BDADMM Cc1cc(=O)n(-c2ccc3c(N)n[nH]c3c2)[n-]1 ZINC001245928344 987188647 /nfs/dbraw/zinc/18/86/47/987188647.db2.gz VQKNCPLKFVYIGM-UHFFFAOYSA-N -1 1 229.243 1.345 20 0 BDADMM CC(C)OC1(C(=O)Nc2c[n-][nH]c2=O)CCC1 ZINC001472569465 987243881 /nfs/dbraw/zinc/24/38/81/987243881.db2.gz AEVMDKHXIFZGLH-UHFFFAOYSA-N -1 1 239.275 1.402 20 0 BDADMM Cc1cnc(F)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001472570332 987246904 /nfs/dbraw/zinc/24/69/04/987246904.db2.gz SRCZECDFFOUPLB-UHFFFAOYSA-N -1 1 236.206 1.210 20 0 BDADMM CC(C)(C)c1cc(C(=O)Nc2c[n-][nH]c2=O)[nH]n1 ZINC001472570894 987247479 /nfs/dbraw/zinc/24/74/79/987247479.db2.gz SZNAJZKCEZGYIL-UHFFFAOYSA-N -1 1 249.274 1.388 20 0 BDADMM COCc1csc(CN(C)[C@H](C)C(=O)[O-])c1 ZINC000695474261 987332915 /nfs/dbraw/zinc/33/29/15/987332915.db2.gz WUUJCIXTTQPWBP-MRVPVSSYSA-N -1 1 243.328 1.799 20 0 BDADMM CC[C@@H]1OCC[C@H]1NCc1cc(C(=O)[O-])no1 ZINC001597308042 987423818 /nfs/dbraw/zinc/42/38/18/987423818.db2.gz RUPKSZWJHXGJDK-SCZZXKLOSA-N -1 1 240.259 1.030 20 0 BDADMM CC(C)c1ocnc1CN(C)C[C@H](C)C(=O)[O-] ZINC001118251323 988153010 /nfs/dbraw/zinc/15/30/10/988153010.db2.gz LTNYLYCGEAFBSO-VIFPVBQESA-N -1 1 240.303 1.951 20 0 BDADMM CSc1ccc(CN2CC(C(=O)[O-])C2)s1 ZINC001599813502 988380215 /nfs/dbraw/zinc/38/02/15/988380215.db2.gz WARIRTRWEXHNKK-UHFFFAOYSA-N -1 1 243.353 1.986 20 0 BDADMM CCN(C)S(=O)(=O)[N-]c1cnoc1C(C)C ZINC001119010403 988797212 /nfs/dbraw/zinc/79/72/12/988797212.db2.gz JUEMDJCENZOXQM-UHFFFAOYSA-N -1 1 247.320 1.406 20 0 BDADMM O=C([O-])[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC001119032663 988803551 /nfs/dbraw/zinc/80/35/51/988803551.db2.gz ZOFSRXJUPDHZSF-JTQLQIEISA-N -1 1 249.314 1.126 20 0 BDADMM CN(Cc1cc(C(=O)[O-])nn1C)C1CCC1 ZINC001119096554 988833292 /nfs/dbraw/zinc/83/32/92/988833292.db2.gz FUILEEUZZGZFAC-UHFFFAOYSA-N -1 1 223.276 1.103 20 0 BDADMM O=C([O-])CC1(CN2CCC=C(F)C2)CC1 ZINC001601915258 988887771 /nfs/dbraw/zinc/88/77/71/988887771.db2.gz IVORCUCFSKZAJV-UHFFFAOYSA-N -1 1 213.252 1.800 20 0 BDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1nn[n-]n1 ZINC001119490162 989107194 /nfs/dbraw/zinc/10/71/94/989107194.db2.gz IBRGAACZASZPKC-DTWKUNHWSA-N -1 1 237.307 1.379 20 0 BDADMM CN(C(=O)/C=C/C1CCCCCC1)c1nn[n-]n1 ZINC001119490544 989108621 /nfs/dbraw/zinc/10/86/21/989108621.db2.gz PEGWFZWQYLIYSA-CMDGGOBGSA-N -1 1 249.318 1.689 20 0 BDADMM Cc1coc(CN[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001119549760 989159203 /nfs/dbraw/zinc/15/92/03/989159203.db2.gz MBFJNOXNDNDJER-NSHDSACASA-N -1 1 223.272 1.931 20 0 BDADMM Cc1c[nH]c(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC001119606480 989225651 /nfs/dbraw/zinc/22/56/51/989225651.db2.gz HIARHOYNWGPJSJ-PSASIEDQSA-N -1 1 237.303 1.261 20 0 BDADMM CCCN(c1cc(=O)[n-]c(COC)n1)C1CC1 ZINC001120030818 989570722 /nfs/dbraw/zinc/57/07/22/989570722.db2.gz HWOIQUASMHDACO-UHFFFAOYSA-N -1 1 237.303 1.707 20 0 BDADMM C=C/C(C)=C/CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001520460888 989571593 /nfs/dbraw/zinc/57/15/93/989571593.db2.gz SFOMICCGIIOPFP-LLGDCAAFSA-N -1 1 247.302 1.038 20 0 BDADMM C[C@H]1C[C@H](C)CN(C(=O)c2cnncc2O)C1 ZINC001120565948 989733612 /nfs/dbraw/zinc/73/36/12/989733612.db2.gz DOWVBXGJBYUUMI-IUCAKERBSA-N -1 1 235.287 1.300 20 0 BDADMM C[C@H]1C[C@H](C)CN(C(=O)c2cnncc2[O-])C1 ZINC001120565948 989733625 /nfs/dbraw/zinc/73/36/25/989733625.db2.gz DOWVBXGJBYUUMI-IUCAKERBSA-N -1 1 235.287 1.300 20 0 BDADMM CC1(C)CN(C(=O)c2cnncc2O)C1(C)C ZINC001120614834 989786739 /nfs/dbraw/zinc/78/67/39/989786739.db2.gz DKUSNQLYXWKMBQ-UHFFFAOYSA-N -1 1 235.287 1.443 20 0 BDADMM CC1(C)CN(C(=O)c2cnncc2[O-])C1(C)C ZINC001120614834 989786749 /nfs/dbraw/zinc/78/67/49/989786749.db2.gz DKUSNQLYXWKMBQ-UHFFFAOYSA-N -1 1 235.287 1.443 20 0 BDADMM Cc1n[nH]c(C(F)F)c1NC(=O)CCC(=O)[O-] ZINC001326976264 989793936 /nfs/dbraw/zinc/79/39/36/989793936.db2.gz DCBIASJKFDMMCS-UHFFFAOYSA-N -1 1 247.201 1.459 20 0 BDADMM Cc1ccoc1CN(C)C(=O)c1cnncc1[O-] ZINC001120656329 989816469 /nfs/dbraw/zinc/81/64/69/989816469.db2.gz DPIMRJJMTVQEQI-UHFFFAOYSA-N -1 1 247.254 1.356 20 0 BDADMM Cc1noc([N-][C@H](CCO)c2ccco2)n1 ZINC001120918679 989967005 /nfs/dbraw/zinc/96/70/05/989967005.db2.gz GNOSHAKTPBZDGE-MRVPVSSYSA-N -1 1 223.232 1.507 20 0 BDADMM CCCc1occc1C(=O)OCc1nn[n-]n1 ZINC001123118946 990513772 /nfs/dbraw/zinc/51/37/72/990513772.db2.gz CLTOVTNGEVNHKE-UHFFFAOYSA-N -1 1 236.231 1.102 20 0 BDADMM Cc1nocc1[N-]C(=O)c1conc1C ZINC001537836955 990518108 /nfs/dbraw/zinc/51/81/08/990518108.db2.gz NDUULXHJGWYJCK-UHFFFAOYSA-N -1 1 207.189 1.532 20 0 BDADMM C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)CCO1 ZINC001539723973 990578427 /nfs/dbraw/zinc/57/84/27/990578427.db2.gz SLXHIBFCNBNDNX-QMMMGPOBSA-N -1 1 239.246 1.392 20 0 BDADMM CC(C)c1oncc1C(=O)[N-]c1nncs1 ZINC001123601276 990624898 /nfs/dbraw/zinc/62/48/98/990624898.db2.gz TWMLYIONYRWUHY-UHFFFAOYSA-N -1 1 238.272 1.902 20 0 BDADMM O=C(NCc1ccc[nH]1)c1ccc(F)c([O-])c1 ZINC001544771246 990734439 /nfs/dbraw/zinc/73/44/39/990734439.db2.gz CRSHEKVDRWNITK-UHFFFAOYSA-N -1 1 234.230 1.789 20 0 BDADMM Cc1nc(CNC(=O)c2ccc([O-])cn2)[nH]c1C ZINC001545361927 990750389 /nfs/dbraw/zinc/75/03/89/990750389.db2.gz DFTIYGNXQLDFMJ-UHFFFAOYSA-N -1 1 246.270 1.057 20 0 BDADMM CO[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001556210362 990809634 /nfs/dbraw/zinc/80/96/34/990809634.db2.gz WEZVJVFOGPZQDM-PSASIEDQSA-N -1 1 236.271 1.085 20 0 BDADMM CC1CN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001556426882 990826890 /nfs/dbraw/zinc/82/68/90/990826890.db2.gz FRYSCNDYACCLHI-UHFFFAOYSA-N -1 1 209.220 1.623 20 0 BDADMM CCC[C@@](C)(CO)NC(=O)c1ccc([O-])cn1 ZINC001137869538 990862006 /nfs/dbraw/zinc/86/20/06/990862006.db2.gz AASDSBSWUWJQNR-LBPRGKRZSA-N -1 1 238.287 1.068 20 0 BDADMM Cc1nocc1NC(=O)c1ccc(C[NH+](C)C)o1 ZINC001557304903 990883821 /nfs/dbraw/zinc/88/38/21/990883821.db2.gz JMCDOHGWWCFCRC-UHFFFAOYSA-N -1 1 249.270 1.890 20 0 BDADMM [O-]c1cccnc1CN1CC(F)(F)C1 ZINC001138391760 990931496 /nfs/dbraw/zinc/93/14/96/990931496.db2.gz WEBMCRHTWXQWGA-UHFFFAOYSA-N -1 1 200.188 1.238 20 0 BDADMM CSc1cccnc1[N-]C(=O)c1nc[nH]n1 ZINC001559010221 991020744 /nfs/dbraw/zinc/02/07/44/991020744.db2.gz PNXFCRNMEVCGSU-UHFFFAOYSA-N -1 1 235.272 1.174 20 0 BDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001558988579 991021462 /nfs/dbraw/zinc/02/14/62/991021462.db2.gz WWDLDKSFCUYRKA-CFMBBZTMSA-N -1 1 233.271 1.346 20 0 BDADMM O=P([O-])([O-])CC[NH2+]C1CCCCCCC1 ZINC001258234361 991172939 /nfs/dbraw/zinc/17/29/39/991172939.db2.gz WPUWRPWGIVDGGT-UHFFFAOYSA-N -1 1 235.264 1.867 20 0 BDADMM CN(CCF)Cc1ccccc1C(=O)[O-] ZINC001140509073 991659517 /nfs/dbraw/zinc/65/95/17/991659517.db2.gz BMUZHIGCFJYLGM-UHFFFAOYSA-N -1 1 211.236 1.786 20 0 BDADMM CC[C@H](C)C[C@H](CC)[NH2+]CCP(=O)([O-])[O-] ZINC001258779647 991748953 /nfs/dbraw/zinc/74/89/53/991748953.db2.gz GSSUIGXPJCJIIF-UWVGGRQHSA-N -1 1 237.280 1.969 20 0 BDADMM C[C@@H](O)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001566363831 991844822 /nfs/dbraw/zinc/84/48/22/991844822.db2.gz VFHWUSFLSUQIER-SSDOTTSWSA-N -1 1 227.235 1.032 20 0 BDADMM O=S(=O)([N-]c1ncccc1C1CC1)C1CC1 ZINC001259271904 991930440 /nfs/dbraw/zinc/93/04/40/991930440.db2.gz WRFRTCDCGBPJDO-UHFFFAOYSA-N -1 1 238.312 1.863 20 0 BDADMM CC(=O)c1ncccc1[N-]S(=O)(=O)C1CC1 ZINC001259271513 991930644 /nfs/dbraw/zinc/93/06/44/991930644.db2.gz NFVYVSGPQILWSA-UHFFFAOYSA-N -1 1 240.284 1.188 20 0 BDADMM O=S(=O)([N-]c1cc(F)ccn1)C1CCCC1 ZINC001259793601 991973414 /nfs/dbraw/zinc/97/34/14/991973414.db2.gz GHDOPLLFBRRMMM-UHFFFAOYSA-N -1 1 244.291 1.905 20 0 BDADMM O=S(=O)([N-]c1cncnc1)C1CCCC1 ZINC001259792654 991974758 /nfs/dbraw/zinc/97/47/58/991974758.db2.gz JDKFGNJDBMDPFD-UHFFFAOYSA-N -1 1 227.289 1.161 20 0 BDADMM O=C([N-]N1CCCC1=O)c1cccnc1Cl ZINC001319938908 992037053 /nfs/dbraw/zinc/03/70/53/992037053.db2.gz GLZAOUGMBWQPKC-UHFFFAOYSA-N -1 1 239.662 1.002 20 0 BDADMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)C(F)F ZINC001259961374 992062501 /nfs/dbraw/zinc/06/25/01/992062501.db2.gz HIXGQELEBUWQMM-ZCFIWIBFSA-N -1 1 227.276 1.707 20 0 BDADMM CC(C)CCC[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001591238716 992126118 /nfs/dbraw/zinc/12/61/18/992126118.db2.gz QJAOJQQXBVPHEN-UHFFFAOYSA-N -1 1 231.292 1.284 20 0 BDADMM CC[C@H](C)S(=O)(=O)[N-]c1nc(C)ccc1O ZINC001260723869 992135939 /nfs/dbraw/zinc/13/59/39/992135939.db2.gz DKKXSYACAPSXGI-QMMMGPOBSA-N -1 1 244.316 1.636 20 0 BDADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001570193048 992446426 /nfs/dbraw/zinc/44/64/26/992446426.db2.gz AEKMXFGXVZZOPO-WAAGHKOSSA-N -1 1 236.271 1.085 20 0 BDADMM CCn1ccnc1NC(=O)c1cccc([O-])c1F ZINC001570261433 992456666 /nfs/dbraw/zinc/45/66/66/992456666.db2.gz MKFDQKIXEOEQIV-UHFFFAOYSA-N -1 1 249.245 2.000 20 0 BDADMM CCc1oc(CNCCOC)cc1C(=O)[O-] ZINC001262158679 992714118 /nfs/dbraw/zinc/71/41/18/992714118.db2.gz SJNQBJGQRLNSPK-UHFFFAOYSA-N -1 1 227.260 1.276 20 0 BDADMM C[C@H](c1ncccn1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001262160404 992724645 /nfs/dbraw/zinc/72/46/45/992724645.db2.gz DJUADTSYDUZDGA-MXWKQRLJSA-N -1 1 249.314 1.580 20 0 BDADMM C[N@H+](CC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001573998722 992788407 /nfs/dbraw/zinc/78/84/07/992788407.db2.gz FRZQHOMXFXGVAX-UHFFFAOYSA-N -1 1 231.198 1.187 20 0 BDADMM C[N@@H+](CC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001573998722 992788420 /nfs/dbraw/zinc/78/84/20/992788420.db2.gz FRZQHOMXFXGVAX-UHFFFAOYSA-N -1 1 231.198 1.187 20 0 BDADMM O=C([O-])[C@]12CCC[C@H]1C[C@H](NC(CF)CF)C2 ZINC001574352837 992852348 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O=C(N[C@@H]1CC12CC2)C(=O)c1ccc([O-])cc1 ZINC000335527976 384896814 /nfs/dbraw/zinc/89/68/14/384896814.db2.gz PKEVGLGAGYGMJS-SNVBAGLBSA-N -1 1 231.251 1.244 20 0 BDADMM COC[C@@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128625095 385055981 /nfs/dbraw/zinc/05/59/81/385055981.db2.gz PUNSFCQCUDMENB-MRVPVSSYSA-N -1 1 241.262 1.638 20 0 BDADMM CSC(C)(C)CNC(=O)c1ncccc1[O-] ZINC000128334417 385026181 /nfs/dbraw/zinc/02/61/81/385026181.db2.gz XUNKWTDMRCMGSG-UHFFFAOYSA-N -1 1 240.328 1.659 20 0 BDADMM CCC[C@H](NC(=O)C1=CCCCC1)c1nn[n-]n1 ZINC000188321641 385038709 /nfs/dbraw/zinc/03/87/09/385038709.db2.gz NIHZDGWXSMTUSW-JTQLQIEISA-N -1 1 249.318 1.658 20 0 BDADMM CC1(C)CC[C@@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000557751686 385113733 /nfs/dbraw/zinc/11/37/33/385113733.db2.gz WPHCACIKYRGPQJ-ZETCQYMHSA-N -1 1 233.275 1.033 20 0 BDADMM CCCc1cc(=O)[n-]c(SCCOCC)n1 ZINC000060965826 385105860 /nfs/dbraw/zinc/10/58/60/385105860.db2.gz JWKHKVROANGTKN-UHFFFAOYSA-N -1 1 242.344 1.851 20 0 BDADMM CCO[N-]C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190056370 385208216 /nfs/dbraw/zinc/20/82/16/385208216.db2.gz DZQWCRJPGKTQNK-NSHDSACASA-N -1 1 235.283 1.880 20 0 BDADMM CCCCCS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000191027817 385277800 /nfs/dbraw/zinc/27/78/00/385277800.db2.gz MTMGTMSELGLBFH-UHFFFAOYSA-N -1 1 243.332 1.646 20 0 BDADMM Cn1ccnc1NC(=O)c1ccc([O-])cc1F ZINC000335351149 385296262 /nfs/dbraw/zinc/29/62/62/385296262.db2.gz KWDGBFRLCNXSCQ-UHFFFAOYSA-N -1 1 235.218 1.517 20 0 BDADMM O=C(Nc1nnn[n-]1)C1=CCCCCC1 ZINC000131494664 385340117 /nfs/dbraw/zinc/34/01/17/385340117.db2.gz MWMFFWPPTVNEFY-UHFFFAOYSA-N -1 1 207.237 1.029 20 0 BDADMM O=C(Nc1nn[n-]n1)C1=CCCCCC1 ZINC000131494664 385340122 /nfs/dbraw/zinc/34/01/22/385340122.db2.gz MWMFFWPPTVNEFY-UHFFFAOYSA-N -1 1 207.237 1.029 20 0 BDADMM C[C@@H]1C[C@H](O)CN1C(=O)c1cc(F)ccc1[O-] ZINC000336573950 385384922 /nfs/dbraw/zinc/38/49/22/385384922.db2.gz LNECKWLZNDGWCI-APPZFPTMSA-N -1 1 239.246 1.127 20 0 BDADMM CC[C@H](CNC(=O)c1ccc([O-])c(F)c1)OC 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/nfs/dbraw/zinc/83/17/18/385831718.db2.gz UDVITBZPWNFWGE-QMMMGPOBSA-N -1 1 231.259 1.017 20 0 BDADMM C[C@@H](Cc1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000112114382 385831727 /nfs/dbraw/zinc/83/17/27/385831727.db2.gz UDVITBZPWNFWGE-QMMMGPOBSA-N -1 1 231.259 1.017 20 0 BDADMM O=C(c1cncc([O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC000365801655 385795117 /nfs/dbraw/zinc/79/51/17/385795117.db2.gz NKUSLNHPHUZZGD-BXKDBHETSA-N -1 1 232.283 1.802 20 0 BDADMM COC(=O)c1ccc([O-])c(NC(=O)C2CCC2)c1 ZINC000282892299 385795775 /nfs/dbraw/zinc/79/57/75/385795775.db2.gz WESBKQOIXNBNGW-UHFFFAOYSA-N -1 1 249.266 1.917 20 0 BDADMM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc2n[nH]cc21 ZINC000262879210 385903228 /nfs/dbraw/zinc/90/32/28/385903228.db2.gz LBLVZAZKJOFVQF-SSDOTTSWSA-N -1 1 247.254 1.108 20 0 BDADMM CCCc1cc(C(=O)Nc2n[nH]c(C)n2)no1 ZINC000294525184 385863112 /nfs/dbraw/zinc/86/31/12/385863112.db2.gz IKZROMHGUYBOKH-UHFFFAOYSA-N -1 1 235.247 1.306 20 0 BDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C2CC2)no1 ZINC000647816871 385868488 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/nfs/dbraw/zinc/09/64/84/386096484.db2.gz QOMLCTMLEGEIKK-SSDOTTSWSA-N -1 1 247.283 1.028 20 0 BDADMM O=C(Nc1nn[n-]n1)[C@@H]1CSc2ccccc21 ZINC000345301964 386096486 /nfs/dbraw/zinc/09/64/86/386096486.db2.gz QOMLCTMLEGEIKK-SSDOTTSWSA-N -1 1 247.283 1.028 20 0 BDADMM Cn1cc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000334457510 386098456 /nfs/dbraw/zinc/09/84/56/386098456.db2.gz IQYJFVMYJJIYEM-UHFFFAOYSA-N -1 1 235.218 1.517 20 0 BDADMM CSc1n[nH]c(NC(=O)C2=CCCCC2)n1 ZINC000275810922 386241723 /nfs/dbraw/zinc/24/17/23/386241723.db2.gz PXQFSCBLTYWECB-UHFFFAOYSA-N -1 1 238.316 1.966 20 0 BDADMM CO[C@H](C)CCNC(=O)c1c([O-])cccc1F ZINC000274586919 386248069 /nfs/dbraw/zinc/24/80/69/386248069.db2.gz INFCZDUAKKNRCF-MRVPVSSYSA-N -1 1 241.262 1.686 20 0 BDADMM C[C@H](CF)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000288408117 386196457 /nfs/dbraw/zinc/19/64/57/386196457.db2.gz WUZOQKKJSQJKLM-SSDOTTSWSA-N -1 1 225.219 1.049 20 0 BDADMM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000034483601 386441492 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CCC[C@@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000095276625 599406154 /nfs/dbraw/zinc/40/61/54/599406154.db2.gz JVHHJPSIWYWYJU-SECBINFHSA-N -1 1 246.318 1.887 20 0 BDADMM Cc1nnc([C@@H](C)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC000738934018 600373658 /nfs/dbraw/zinc/37/36/58/600373658.db2.gz NQKQYGNYRJPUSB-RNFRBKRXSA-N -1 1 227.264 1.092 20 0 BDADMM O=C([O-])C[C@H]1CCCCN1Cc1ccon1 ZINC000257642838 600711822 /nfs/dbraw/zinc/71/18/22/600711822.db2.gz CDZPLLLANQOVGE-SNVBAGLBSA-N -1 1 224.260 1.504 20 0 BDADMM CCCCCCN1CCO[C@H](C(=O)[O-])C1 ZINC000044471330 600712918 /nfs/dbraw/zinc/71/29/18/600712918.db2.gz CBDKHDOCNVDNHZ-JTQLQIEISA-N -1 1 215.293 1.352 20 0 BDADMM CCc1nnc(SC/C=C(/C)C(=O)[O-])[nH]1 ZINC000713450580 601098530 /nfs/dbraw/zinc/09/85/30/601098530.db2.gz ZQDRMSQSSSRMQZ-XQRVVYSFSA-N -1 1 227.289 1.490 20 0 BDADMM CCc1n[nH]c(SC/C=C(/C)C(=O)[O-])n1 ZINC000713450580 601098533 /nfs/dbraw/zinc/09/85/33/601098533.db2.gz ZQDRMSQSSSRMQZ-XQRVVYSFSA-N -1 1 227.289 1.490 20 0 BDADMM CC[C@@H]1CO[C@@H](C)CN1C/C=C(/C)C(=O)[O-] ZINC000084002619 601156194 /nfs/dbraw/zinc/15/61/94/601156194.db2.gz HIGJQSXGIFUAQZ-DESOLJLISA-N -1 1 227.304 1.517 20 0 BDADMM CN(Cc1cn[nH]c1)Cc1ccc(C(=O)[O-])cc1 ZINC000310956683 601388047 /nfs/dbraw/zinc/38/80/47/601388047.db2.gz PABPNUBVVSGIEZ-UHFFFAOYSA-N -1 1 245.282 1.740 20 0 BDADMM CO[C@H]1CCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000234886248 601450405 /nfs/dbraw/zinc/45/04/05/601450405.db2.gz KRRYAYGZMUTCJH-VIFPVBQESA-N -1 1 239.271 1.507 20 0 BDADMM Cc1cnc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000700318780 601525093 /nfs/dbraw/zinc/52/50/93/601525093.db2.gz HJSFHQYUFLQXQY-APPZFPTMSA-N -1 1 224.260 1.136 20 0 BDADMM Cc1nc(CN2CC[C@](C)(C(=O)[O-])C2)oc1C ZINC000062936497 601951644 /nfs/dbraw/zinc/95/16/44/601951644.db2.gz HGURCVJADFPCBC-LBPRGKRZSA-N -1 1 238.287 1.588 20 0 BDADMM CCc1noc(C)c1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000700780132 601954577 /nfs/dbraw/zinc/95/45/77/601954577.db2.gz LTNMDTFLZJPAPF-QMMMGPOBSA-N -1 1 240.303 1.698 20 0 BDADMM CCc1cnc(CN[C@](C)(CC)CC(=O)[O-])o1 ZINC000830295703 602216914 /nfs/dbraw/zinc/21/69/14/602216914.db2.gz ZARRWSABFPMMEG-GFCCVEGCSA-N -1 1 240.303 1.970 20 0 BDADMM C[C@@H]1CN(C(=O)[O-])CCN1C[C@@H]1CCCCO1 ZINC000739161104 602736689 /nfs/dbraw/zinc/73/66/89/602736689.db2.gz NWDUUPQOMBWPGW-MNOVXSKESA-N -1 1 242.319 1.240 20 0 BDADMM Cc1cnc(CNC(C)(C)CC(=O)[O-])o1 ZINC000694025348 604442887 /nfs/dbraw/zinc/44/28/87/604442887.db2.gz HEIPHYUVKGLIAI-UHFFFAOYSA-N -1 1 212.249 1.326 20 0 BDADMM C/C(=C\CN1CCOCC12CCC2)C(=O)[O-] ZINC000707471131 604986215 /nfs/dbraw/zinc/98/62/15/604986215.db2.gz LTMQXWLGKSUFCO-XCVCLJGOSA-N -1 1 225.288 1.272 20 0 BDADMM C/C(=C\CN1CCOCC12CCCC2)C(=O)[O-] ZINC000322762593 605018510 /nfs/dbraw/zinc/01/85/10/605018510.db2.gz GWRCQOYHDWABMZ-NYYWCZLTSA-N -1 1 239.315 1.662 20 0 BDADMM O=C([O-])c1occc1CNCc1cccc(O)c1 ZINC000384012346 605087745 /nfs/dbraw/zinc/08/77/45/605087745.db2.gz YGAQHCUJJIUTTE-UHFFFAOYSA-N -1 1 247.250 1.973 20 0 BDADMM Cc1occc1CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833938639 605583208 /nfs/dbraw/zinc/58/32/08/605583208.db2.gz LIGVHBIAQCZAOJ-LLVKDONJSA-N -1 1 238.287 1.772 20 0 BDADMM Cc1cccnc1CN(C)[C@H](C)CNC(=O)[O-] ZINC000833910418 605804698 /nfs/dbraw/zinc/80/46/98/605804698.db2.gz KNRFFFYINXKVHD-SNVBAGLBSA-N -1 1 237.303 1.478 20 0 BDADMM Cc1cccnc1CN(C)[C@@H](C)CNC(=O)[O-] ZINC000833910417 605805289 /nfs/dbraw/zinc/80/52/89/605805289.db2.gz KNRFFFYINXKVHD-JTQLQIEISA-N -1 1 237.303 1.478 20 0 BDADMM Cc1cccnc1CN1CCC[C@H](NC(=O)[O-])C1 ZINC000833911424 605806106 /nfs/dbraw/zinc/80/61/06/605806106.db2.gz VNEPKZXGKLUDJM-NSHDSACASA-N -1 1 249.314 1.622 20 0 BDADMM CC(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820138624 606438436 /nfs/dbraw/zinc/43/84/36/606438436.db2.gz ZOASLSOHOLJAKY-UHFFFAOYSA-N -1 1 238.682 1.735 20 0 BDADMM CC(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820138624 606438437 /nfs/dbraw/zinc/43/84/37/606438437.db2.gz ZOASLSOHOLJAKY-UHFFFAOYSA-N -1 1 238.682 1.735 20 0 BDADMM CC(C)[C@@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000095195390 607896078 /nfs/dbraw/zinc/89/60/78/607896078.db2.gz DDHLNXGQNNGRDM-SECBINFHSA-N -1 1 246.318 1.742 20 0 BDADMM CC(C)[C@@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000095195390 607896079 /nfs/dbraw/zinc/89/60/79/607896079.db2.gz DDHLNXGQNNGRDM-SECBINFHSA-N -1 1 246.318 1.742 20 0 BDADMM CC[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095264110 607897694 /nfs/dbraw/zinc/89/76/94/607897694.db2.gz IMFFMSWUUXWMHR-SECBINFHSA-N -1 1 244.302 1.641 20 0 BDADMM CC[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000095264110 607897695 /nfs/dbraw/zinc/89/76/95/607897695.db2.gz IMFFMSWUUXWMHR-SECBINFHSA-N -1 1 244.302 1.641 20 0 BDADMM CCCCCn1cccc(-c2nn[n-]n2)c1=O ZINC000095288804 608322923 /nfs/dbraw/zinc/32/29/23/608322923.db2.gz UMCLTIZACPMRBX-UHFFFAOYSA-N -1 1 233.275 1.219 20 0 BDADMM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824936411 608413253 /nfs/dbraw/zinc/41/32/53/608413253.db2.gz GYMUKQACTBUQKO-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824936411 608413254 /nfs/dbraw/zinc/41/32/54/608413254.db2.gz GYMUKQACTBUQKO-HTQZYQBOSA-N -1 1 245.290 1.257 20 0 BDADMM CCCCOCCNCc1cc(C(=O)[O-])no1 ZINC000233013341 635523818 /nfs/dbraw/zinc/52/38/18/635523818.db2.gz DCDROASGKVGMKZ-UHFFFAOYSA-N -1 1 242.275 1.279 20 0 BDADMM COC1(C[N-]C(=O)C(F)(F)F)CCCC1 ZINC000306542403 635969182 /nfs/dbraw/zinc/96/91/82/635969182.db2.gz QWZNIKCFGXWCLG-UHFFFAOYSA-N -1 1 225.210 1.624 20 0 BDADMM CC1(C)OCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000328427483 633762686 /nfs/dbraw/zinc/76/26/86/633762686.db2.gz LXSCMCWAZWMHPG-YFKPBYRVSA-N -1 1 243.200 1.571 20 0 BDADMM CO[C@@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188372569 634143035 /nfs/dbraw/zinc/14/30/35/634143035.db2.gz PTPFFGAMQDSROZ-LURJTMIESA-N -1 1 244.678 1.804 20 0 BDADMM Cc1cc([C@H](NCCF)C(=O)[O-])ccc1F ZINC000905384904 637784031 /nfs/dbraw/zinc/78/40/31/637784031.db2.gz KNBAVVCFCMCEFD-JTQLQIEISA-N -1 1 229.226 1.819 20 0 BDADMM 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/nfs/dbraw/zinc/93/39/13/982933913.db2.gz QLXZQXNXVXHLOE-SSDOTTSWSA-N -1 1 249.278 1.046 20 0 BDADMM CC(C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000082277330 982955870 /nfs/dbraw/zinc/95/58/70/982955870.db2.gz SYLCKSMZWMJBCH-UHFFFAOYSA-N -1 1 236.197 1.808 20 0 BDADMM CCCCNc1cccnc1-c1nnn[n-]1 ZINC001590606479 982966150 /nfs/dbraw/zinc/96/61/50/982966150.db2.gz ZJAUSHICAHLUSW-UHFFFAOYSA-N -1 1 218.264 1.474 20 0 BDADMM CCCCNc1cccnc1-c1nn[n-]n1 ZINC001590606479 982966153 /nfs/dbraw/zinc/96/61/53/982966153.db2.gz ZJAUSHICAHLUSW-UHFFFAOYSA-N -1 1 218.264 1.474 20 0 BDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001590673612 982976880 /nfs/dbraw/zinc/97/68/80/982976880.db2.gz MODSSGQEPJFXOE-UHFFFAOYSA-N -1 1 249.274 1.330 20 0 BDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001590673612 982976889 /nfs/dbraw/zinc/97/68/89/982976889.db2.gz MODSSGQEPJFXOE-UHFFFAOYSA-N -1 1 249.274 1.330 20 0 BDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C(C)C)n1 ZINC001590903187 983012118 /nfs/dbraw/zinc/01/21/18/983012118.db2.gz 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FHMNUOBPYWCFTG-UHFFFAOYSA-N -1 1 230.275 1.170 20 0 BDADMM Cc1nc(N[C@@H]2CC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592382171 983157573 /nfs/dbraw/zinc/15/75/73/983157573.db2.gz JMTVDZZIPAZYTD-POYBYMJQSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1nc(N[C@@H]2CC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592382171 983157577 /nfs/dbraw/zinc/15/75/77/983157577.db2.gz JMTVDZZIPAZYTD-POYBYMJQSA-N -1 1 245.290 1.176 20 0 BDADMM Cc1nsc(N2CC=CC2)c1-c1nn[n-]n1 ZINC001592473025 983168592 /nfs/dbraw/zinc/16/85/92/983168592.db2.gz INMUBSBLYGHVDX-UHFFFAOYSA-N -1 1 234.288 1.008 20 0 BDADMM FCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC001592629359 983186357 /nfs/dbraw/zinc/18/63/57/983186357.db2.gz FCLXTTIPLXTSAZ-UHFFFAOYSA-N -1 1 236.254 1.423 20 0 BDADMM FCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC001592629359 983186359 /nfs/dbraw/zinc/18/63/59/983186359.db2.gz FCLXTTIPLXTSAZ-UHFFFAOYSA-N -1 1 236.254 1.423 20 0 BDADMM C[C@@](CO)(NCc1coc2ccccc12)C(=O)[O-] ZINC001592750739 983202683 /nfs/dbraw/zinc/20/26/83/983202683.db2.gz OVTCKTILQCZLBW-ZDUSSCGKSA-N -1 1 249.266 1.358 20 0 BDADMM c1cc(S[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001593563017 983302035 /nfs/dbraw/zinc/30/20/35/983302035.db2.gz VXIMKLMUDXIJKL-SSDOTTSWSA-N -1 1 249.299 1.143 20 0 BDADMM c1cc(S[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001593563017 983302043 /nfs/dbraw/zinc/30/20/43/983302043.db2.gz VXIMKLMUDXIJKL-SSDOTTSWSA-N -1 1 249.299 1.143 20 0 BDADMM c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC001593559347 983304603 /nfs/dbraw/zinc/30/46/03/983304603.db2.gz WXFUKHGCKACWIM-AYMMMOKOSA-N -1 1 242.286 1.472 20 0 BDADMM c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC001593559347 983304606 /nfs/dbraw/zinc/30/46/06/983304606.db2.gz WXFUKHGCKACWIM-AYMMMOKOSA-N -1 1 242.286 1.472 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(NC2CCCC2)c1 ZINC001593583301 983306925 /nfs/dbraw/zinc/30/69/25/983306925.db2.gz WHILAKFGMGUVPU-UHFFFAOYSA-N -1 1 230.275 1.616 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(NC2CCCC2)c1 ZINC001593583301 983306934 /nfs/dbraw/zinc/30/69/34/983306934.db2.gz WHILAKFGMGUVPU-UHFFFAOYSA-N -1 1 230.275 1.616 20 0 BDADMM c1cnc(-c2nnn[n-]2)c(OCC2CCCC2)c1 ZINC001593584166 983307121 /nfs/dbraw/zinc/30/71/21/983307121.db2.gz IFZLJLOBYWZVCX-UHFFFAOYSA-N -1 1 245.286 1.831 20 0 BDADMM c1cnc(-c2nn[n-]n2)c(OCC2CCCC2)c1 ZINC001593584166 983307126 /nfs/dbraw/zinc/30/71/26/983307126.db2.gz IFZLJLOBYWZVCX-UHFFFAOYSA-N -1 1 245.286 1.831 20 0 BDADMM C[N@@H+](CCC(=O)[O-])Cc1csc(C(=O)[O-])c1 ZINC001593740108 983354377 /nfs/dbraw/zinc/35/43/77/983354377.db2.gz VGXYWFFKRJMPLW-UHFFFAOYSA-N -1 1 243.284 1.353 20 0 BDADMM O=C([O-])c1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001242335483 983578297 /nfs/dbraw/zinc/57/82/97/983578297.db2.gz GVPRZVONLFGWDF-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM O=C([O-])c1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001242335483 983578312 /nfs/dbraw/zinc/57/83/12/983578312.db2.gz GVPRZVONLFGWDF-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM O=C([O-])c1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001242336367 983584449 /nfs/dbraw/zinc/58/44/49/983584449.db2.gz LSSNNBWQSDEIMP-UHFFFAOYSA-N -1 1 240.222 1.718 20 0 BDADMM COC(=O)c1ccnc(-c2cccc(C)c2[O-])n1 ZINC001242343915 983593232 /nfs/dbraw/zinc/59/32/32/983593232.db2.gz HLIYDOMZZBALCU-UHFFFAOYSA-N -1 1 244.250 1.944 20 0 BDADMM [O-]c1c(F)cccc1-c1cncn2cnnc12 ZINC001242352902 983631636 /nfs/dbraw/zinc/63/16/36/983631636.db2.gz UZRGUFKMMVHIIY-UHFFFAOYSA-N -1 1 230.202 1.636 20 0 BDADMM CCS(=O)(=O)[N-]c1cccc(C(C)C)n1 ZINC001253277816 984073845 /nfs/dbraw/zinc/07/38/45/984073845.db2.gz RPJRHMOMCRJOOH-UHFFFAOYSA-N -1 1 228.317 1.967 20 0 BDADMM NC(=O)c1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242797326 984165534 /nfs/dbraw/zinc/16/55/34/984165534.db2.gz GRQRYSSYJWHMDO-UHFFFAOYSA-N -1 1 249.657 1.602 20 0 BDADMM Cc1ccc(F)c(-c2noc(-c3cn[n-]n3)n2)c1 ZINC001212799183 984165677 /nfs/dbraw/zinc/16/56/77/984165677.db2.gz NDNZBARHWAOIJV-UHFFFAOYSA-N -1 1 245.217 1.969 20 0 BDADMM CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001440946940 984446236 /nfs/dbraw/zinc/44/62/36/984446236.db2.gz MUNLYSCJBRVBCW-UHFFFAOYSA-N -1 1 217.224 1.611 20 0 BDADMM CC[C@H](COC)NC(=O)c1ccc(F)c([O-])c1 ZINC001444623960 984571584 /nfs/dbraw/zinc/57/15/84/984571584.db2.gz NPICZIIUULGFNT-SECBINFHSA-N -1 1 241.262 1.686 20 0 BDADMM C/C(=C/C(=O)[O-])CN(C)Cc1cnn(C)c1C ZINC001588945148 984651256 /nfs/dbraw/zinc/65/12/56/984651256.db2.gz HNYSBMCNLYVAAW-UITAMQMPSA-N -1 1 237.303 1.191 20 0 BDADMM Cc1ccc(NC(=O)c2cnncc2[O-])cc1F ZINC001586969300 984873751 /nfs/dbraw/zinc/87/37/51/984873751.db2.gz KNDSGPSXRUMBTC-UHFFFAOYSA-N -1 1 247.229 1.882 20 0 BDADMM C[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C(=O)[O-] ZINC001599906603 984930604 /nfs/dbraw/zinc/93/06/04/984930604.db2.gz FRFJVTYLQNBPNE-IUCAKERBSA-N -1 1 243.303 1.425 20 0 BDADMM CCCC[C@H](CC)[NH2+]CCP(=O)([O-])[O-] ZINC001257411084 984960412 /nfs/dbraw/zinc/96/04/12/984960412.db2.gz QLCMEQKMHZORSD-VIFPVBQESA-N -1 1 223.253 1.723 20 0 BDADMM C/C=C/[C@@H](O)C(=O)Nc1c([O-])cccc1F ZINC001453017015 984976470 /nfs/dbraw/zinc/97/64/70/984976470.db2.gz PXSOWLWQAULSIF-HDMKULJXSA-N -1 1 225.219 1.407 20 0 BDADMM CC[C@@H]1C[C@H]1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001578439041 985063276 /nfs/dbraw/zinc/06/32/76/985063276.db2.gz VAOXFHLPFHZGAT-ZJUUUORDSA-N -1 1 246.318 1.726 20 0 BDADMM CC[C@@H]1C[C@H]1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001578439041 985063284 /nfs/dbraw/zinc/06/32/84/985063284.db2.gz VAOXFHLPFHZGAT-ZJUUUORDSA-N -1 1 246.318 1.726 20 0 BDADMM C[C@@H]1C[C@H](C[N-]C(=O)C(F)(F)F)[C@@H](C)O1 ZINC000686385540 985113580 /nfs/dbraw/zinc/11/35/80/985113580.db2.gz QBDHSKDADMQUGJ-FSDSQADBSA-N -1 1 225.210 1.478 20 0 BDADMM Cc1cc(C(=O)Nc2ccncc2[O-])cc(C)n1 ZINC001457613578 985220958 /nfs/dbraw/zinc/22/09/58/985220958.db2.gz FQFVVHFYWBWEQL-UHFFFAOYSA-N -1 1 243.266 1.473 20 0 BDADMM Cc1nsc(C)c1C(=O)Nc1c[n-][nH]c1=O ZINC001457820876 985237794 /nfs/dbraw/zinc/23/77/94/985237794.db2.gz HDZLDSYHCRTQIP-UHFFFAOYSA-N -1 1 238.272 1.441 20 0 BDADMM CC[C@@H]1C[C@H](NCc2cc(C(=O)[O-])co2)CO1 ZINC000688534191 985671806 /nfs/dbraw/zinc/67/18/06/985671806.db2.gz CJGADYMNWIBMIO-VHSXEESVSA-N -1 1 239.271 1.635 20 0 BDADMM CC[C@H]1C[C@@H](NCc2cc(C(=O)[O-])co2)CO1 ZINC000688534194 985672641 /nfs/dbraw/zinc/67/26/41/985672641.db2.gz CJGADYMNWIBMIO-ZJUUUORDSA-N -1 1 239.271 1.635 20 0 BDADMM C[C@H](C(=O)N(C)c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001461559443 986081990 /nfs/dbraw/zinc/08/19/90/986081990.db2.gz PECANYPWJMDMCY-YUMQZZPRSA-N -1 1 239.323 1.481 20 0 BDADMM CCCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001463714133 986576411 /nfs/dbraw/zinc/57/64/11/986576411.db2.gz VFHZKXMBGPZDDJ-UHFFFAOYSA-N -1 1 221.256 1.653 20 0 BDADMM C[C@H](O)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001464077106 986604052 /nfs/dbraw/zinc/60/40/52/986604052.db2.gz JFENELORBFBWDL-ZETCQYMHSA-N -1 1 247.254 1.102 20 0 BDADMM CN(Cc1cc[nH]n1)C(=O)c1cccc([O-])c1F ZINC001465084592 986690773 /nfs/dbraw/zinc/69/07/73/986690773.db2.gz OHCLOABXIIRUPM-UHFFFAOYSA-N -1 1 249.245 1.527 20 0 BDADMM O=C(NCc1ncc[nH]1)c1cccc([O-])c1F ZINC001465169178 986692311 /nfs/dbraw/zinc/69/23/11/986692311.db2.gz PDPVCZKEPUTEQR-UHFFFAOYSA-N -1 1 235.218 1.184 20 0 BDADMM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])cn2)CCO1 ZINC001466099620 986771260 /nfs/dbraw/zinc/77/12/60/986771260.db2.gz SNQOWUSJYZLXCK-IUCAKERBSA-N -1 1 236.271 1.085 20 0 BDADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC=CCC2)c1 ZINC001466423400 986797950 /nfs/dbraw/zinc/79/79/50/986797950.db2.gz BBQUHPTZCVOESS-UHFFFAOYSA-N -1 1 245.278 1.915 20 0 BDADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1CO ZINC001467240059 986838640 /nfs/dbraw/zinc/83/86/40/986838640.db2.gz WYQACLRKGQMRNV-QMMMGPOBSA-N -1 1 239.246 1.128 20 0 BDADMM CC[C@@H]1CCN(C(=O)c2cnncc2[O-])[C@@H]1C ZINC001467288050 986842203 /nfs/dbraw/zinc/84/22/03/986842203.db2.gz PYPDFJGYQSJOTM-RKDXNWHRSA-N -1 1 235.287 1.443 20 0 BDADMM O=C(NCCCCO)c1cccc([O-])c1F ZINC001467624885 986861075 /nfs/dbraw/zinc/86/10/75/986861075.db2.gz FYOZMAAUSSHXPU-UHFFFAOYSA-N -1 1 227.235 1.034 20 0 BDADMM O=C(Nc1ccc([O-])c(F)c1F)c1c[nH]cn1 ZINC001468003835 986878790 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