smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000706845658 712158349 /nfs/dbraw/zinc/15/83/49/712158349.db2.gz DWBMOVHIZZEWMC-UWVGGRQHSA-N -1 3 247.294 2.025 10 0 BEAEHM Cc1cc(=O)[n-]c(CN[C@H](C)c2ccsc2)n1 ZINC000700469553 712356032 /nfs/dbraw/zinc/35/60/32/712356032.db2.gz QEKNYASEZWFSGY-SECBINFHSA-N -1 3 249.339 2.403 10 0 BEAEHM C[C@@H]1[C@@H](C)CN1Cc1ccsc1C(=O)[O-] ZINC000706915258 977368837 /nfs/dbraw/zinc/36/88/37/977368837.db2.gz MWTZLBWDCFNSNE-JGVFFNPUSA-N -1 3 225.313 2.287 10 0 BEAEHM CCC1CN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000711391654 977541866 /nfs/dbraw/zinc/54/18/66/977541866.db2.gz YASWOTSCOBAHSJ-UHFFFAOYSA-N -1 3 225.313 2.288 10 0 BEAEHM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424378 977545663 /nfs/dbraw/zinc/54/56/63/977545663.db2.gz XTNQKSWBDDPEPU-SFYZADRCSA-N -1 3 225.313 2.287 10 0 BEAEHM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424380 977546809 /nfs/dbraw/zinc/54/68/09/977546809.db2.gz XTNQKSWBDDPEPU-YUMQZZPRSA-N -1 3 225.313 2.287 10 0 BEAEHM CCC(C)(CC)NC(=O)c1ccc2n[n-]nc2c1 ZINC000112937938 168310349 /nfs/dbraw/zinc/31/03/49/168310349.db2.gz ZXURCLCREONCDI-UHFFFAOYSA-N -1 3 246.314 2.266 10 0 BEAEHM CCCC(CCC)c1[n-]nnc1C(=O)OC ZINC000685953220 538897178 /nfs/dbraw/zinc/89/71/78/538897178.db2.gz HTCYTXDKBXRJHG-UHFFFAOYSA-N -1 3 225.292 2.275 10 0 BEAEHM CCCC(CCC)c1nn[n-]c1C(=O)OC ZINC000685953220 538897179 /nfs/dbraw/zinc/89/71/79/538897179.db2.gz HTCYTXDKBXRJHG-UHFFFAOYSA-N -1 3 225.292 2.275 10 0 BEAEHM CCCC(CCC)c1n[n-]nc1C(=O)OC ZINC000685953220 538897181 /nfs/dbraw/zinc/89/71/81/538897181.db2.gz HTCYTXDKBXRJHG-UHFFFAOYSA-N -1 3 225.292 2.275 10 0 BEAEHM Cc1cc(N(C)C)c2c([O-])ccc([O-])c2[nH+]1 ZINC000255975057 178094030 /nfs/dbraw/zinc/09/40/30/178094030.db2.gz GTLKJZLYLVYLCW-UHFFFAOYSA-N -1 3 218.256 2.020 10 0 BEAEHM C[C@H]1C[C@@H]1NC(=O)c1cc([S-])cs1 ZINC000235618419 398221085 /nfs/dbraw/zinc/22/10/85/398221085.db2.gz WEBYCLYPVQLXTO-FSPLSTOPSA-N -1 3 213.327 2.175 10 0 BEAEHM Cc1cc([C@H](N)C(=O)[O-])cc(C)c1Cl ZINC000072196207 178260530 /nfs/dbraw/zinc/26/05/30/178260530.db2.gz RGLHTFZPYWHOPC-VIFPVBQESA-N -1 3 213.664 2.041 10 0 BEAEHM Cc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000035288449 178333522 /nfs/dbraw/zinc/33/35/22/178333522.db2.gz PXGSXBBVMNSMSE-UHFFFAOYSA-N -1 3 214.268 2.362 10 0 BEAEHM O=C1C=C([O-])C(CCCc2ccccc2)O1 ZINC000146409171 342769457 /nfs/dbraw/zinc/76/94/57/342769457.db2.gz CDRAXZCZZUYGRB-GFCCVEGCSA-N -1 3 218.252 2.377 10 0 BEAEHM Cc1occ2c1c(=O)n([O-])c1ccccc21 ZINC000038435538 343374946 /nfs/dbraw/zinc/37/49/46/343374946.db2.gz RSSBGXVDIOWHBF-UHFFFAOYSA-N -1 3 215.208 2.293 10 0 BEAEHM CC1(C)C=Cc2cc(C=O)c([O-])cc2O1 ZINC000039434620 187255682 /nfs/dbraw/zinc/25/56/82/187255682.db2.gz XNEKIILFDVSPTH-UHFFFAOYSA-N -1 3 204.225 2.389 10 0 BEAEHM CO[C@@H](c1ccc(O)c(C=O)c1[O-])C(C)C ZINC000039098779 343382991 /nfs/dbraw/zinc/38/29/91/343382991.db2.gz FIGNQCZGUIWKCN-GFCCVEGCSA-N -1 3 224.256 2.254 10 0 BEAEHM CC(C)c1cc(=O)[n-]c(NCc2ccco2)n1 ZINC000041205269 343416553 /nfs/dbraw/zinc/41/65/53/343416553.db2.gz DFLQGQFGXWBQOU-UHFFFAOYSA-N -1 3 233.271 2.098 10 0 BEAEHM CC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000047833044 343566309 /nfs/dbraw/zinc/56/63/09/343566309.db2.gz BXQMEEMQOOCJNB-SECBINFHSA-N -1 3 244.294 2.056 10 0 BEAEHM COc1ccc(Cl)cc1-c1cc(=O)[n-]cn1 ZINC000234852105 343794780 /nfs/dbraw/zinc/79/47/80/343794780.db2.gz VHDDHUMWFXZFFM-UHFFFAOYSA-N -1 3 236.658 2.099 10 0 BEAEHM Cc1nc(-c2c(F)cccc2F)cc(=O)[n-]1 ZINC000235940571 343795377 /nfs/dbraw/zinc/79/53/77/343795377.db2.gz LEJBGOOZAAXWQE-UHFFFAOYSA-N -1 3 222.194 2.024 10 0 BEAEHM COc1cccc(Cc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000409432141 343825075 /nfs/dbraw/zinc/82/50/75/343825075.db2.gz UJANKONFZNHVPE-UHFFFAOYSA-N -1 3 248.307 2.070 10 0 BEAEHM COC(=O)c1c(C2CC2)n[n-]c1-c1ccco1 ZINC000409441072 343855164 /nfs/dbraw/zinc/85/51/64/343855164.db2.gz PZERLXJAVKUBLP-UHFFFAOYSA-N -1 3 232.239 2.334 10 0 BEAEHM COC(=O)c1c(-c2ccco2)n[n-]c1C1CC1 ZINC000409441072 343855167 /nfs/dbraw/zinc/85/51/67/343855167.db2.gz PZERLXJAVKUBLP-UHFFFAOYSA-N -1 3 232.239 2.334 10 0 BEAEHM [O-]c1ccc(Sc2nncs2)cc1 ZINC000069967763 343945025 /nfs/dbraw/zinc/94/50/25/343945025.db2.gz UAWUCBFHHDIPSN-UHFFFAOYSA-N -1 3 210.283 2.395 10 0 BEAEHM CC(C)CCc1nc2c(n[nH]c2C(C)C)c(=O)[n-]1 ZINC000089212099 344245535 /nfs/dbraw/zinc/24/55/35/344245535.db2.gz LMQVNPQJRQCDEP-UHFFFAOYSA-N -1 3 248.330 2.358 10 0 BEAEHM CCOC(=O)c1cc(C#N)cc([O-])c1CC ZINC000396145872 344619097 /nfs/dbraw/zinc/61/90/97/344619097.db2.gz UWCISXYOLNHJKJ-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM Cc1cccc([C@@H](c2nnn[n-]2)C(C)C)c1 ZINC000408494493 344840571 /nfs/dbraw/zinc/84/05/71/344840571.db2.gz XWVYEZCFRXZJAP-NSHDSACASA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1cccc([C@@H](c2nn[n-]n2)C(C)C)c1 ZINC000408494493 344840573 /nfs/dbraw/zinc/84/05/73/344840573.db2.gz XWVYEZCFRXZJAP-NSHDSACASA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1cccc([C@H](c2nnn[n-]2)C(C)C)c1 ZINC000408494491 344840690 /nfs/dbraw/zinc/84/06/90/344840690.db2.gz XWVYEZCFRXZJAP-LLVKDONJSA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1cccc([C@H](c2nn[n-]n2)C(C)C)c1 ZINC000408494491 344840693 /nfs/dbraw/zinc/84/06/93/344840693.db2.gz XWVYEZCFRXZJAP-LLVKDONJSA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1cc2c(=O)cn[n-]c2cc1Br ZINC000667366228 537875597 /nfs/dbraw/zinc/87/55/97/537875597.db2.gz QXKHQMJJTNXQFL-UHFFFAOYSA-N -1 3 239.072 2.406 10 0 BEAEHM CC(C)Cc1ccoc1S(=O)(=O)[N-]C(C)C ZINC000675053556 537885223 /nfs/dbraw/zinc/88/52/23/537885223.db2.gz IIQKFZNCLTUVCR-UHFFFAOYSA-N -1 3 245.344 2.165 10 0 BEAEHM COc1cc2occ([O-])c2cc1Br ZINC000238395540 345039192 /nfs/dbraw/zinc/03/91/92/345039192.db2.gz FLMGERIKVIKEQL-UHFFFAOYSA-N -1 3 243.056 2.033 10 0 BEAEHM CCN(CC)[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000034620247 345838597 /nfs/dbraw/zinc/83/85/97/345838597.db2.gz CXWSBLMBFXWAFW-SNVBAGLBSA-N -1 3 221.300 2.305 10 0 BEAEHM O=c1cc(-c2ccc(F)cc2F)[nH]c(=S)[n-]1 ZINC000084122940 345922224 /nfs/dbraw/zinc/92/22/24/345922224.db2.gz LMCNGQCEJBMBNJ-UHFFFAOYSA-N -1 3 240.234 2.378 10 0 BEAEHM Cc1cc2c([n-]c(Cl)nc2=O)s1 ZINC000235867177 345948965 /nfs/dbraw/zinc/94/89/65/345948965.db2.gz AAINBJFQLZYALH-UHFFFAOYSA-N -1 3 200.650 2.359 10 0 BEAEHM Cc1cccc(C(=O)N(C)c2ccccn2)c1[O-] ZINC000019839093 179005613 /nfs/dbraw/zinc/00/56/13/179005613.db2.gz LJSMCYILJALQHA-UHFFFAOYSA-N -1 3 242.278 2.372 10 0 BEAEHM CC(C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000020304728 187316854 /nfs/dbraw/zinc/31/68/54/187316854.db2.gz DQQOCLSIXLJLDZ-VIFPVBQESA-N -1 3 207.273 2.167 10 0 BEAEHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000336593471 187369039 /nfs/dbraw/zinc/36/90/39/187369039.db2.gz SGZMQXJWBKFQIP-PWSUYJOCSA-N -1 3 231.295 2.325 10 0 BEAEHM Cc1[n-]n(C)c(=O)c1-c1ccc(C(C)(C)O)cc1 ZINC000675055273 537989265 /nfs/dbraw/zinc/98/92/65/537989265.db2.gz YTEJPOPODHHMGX-UHFFFAOYSA-N -1 3 246.310 2.329 10 0 BEAEHM Cn1c(=O)c([O-])ccc1-c1ccc(Cl)cc1 ZINC000166176833 347404618 /nfs/dbraw/zinc/40/46/18/347404618.db2.gz NXIDVUBPJCOYNW-UHFFFAOYSA-N -1 3 235.670 2.411 10 0 BEAEHM CC(=O)c1ccc(OC(F)(F)F)c([O-])c1 ZINC000616575802 349094537 /nfs/dbraw/zinc/09/45/37/349094537.db2.gz FUFVGZPLMOOFFL-UHFFFAOYSA-N -1 3 220.146 2.493 10 0 BEAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000725266293 538094999 /nfs/dbraw/zinc/09/49/99/538094999.db2.gz DTNMBVGVGFHXLM-AYMMMOKOSA-N -1 3 249.314 2.274 10 0 BEAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000725266293 538095003 /nfs/dbraw/zinc/09/50/03/538095003.db2.gz DTNMBVGVGFHXLM-AYMMMOKOSA-N -1 3 249.314 2.274 10 0 BEAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@@H]1C[C@H]2C[C@H]2C1 ZINC000725266293 538095005 /nfs/dbraw/zinc/09/50/05/538095005.db2.gz DTNMBVGVGFHXLM-AYMMMOKOSA-N -1 3 249.314 2.274 10 0 BEAEHM CCOC(=O)c1nn[n-]c1[C@@H](CC)CC(F)F ZINC000725266632 538096525 /nfs/dbraw/zinc/09/65/25/538096525.db2.gz XCURYZHFDGZEBG-LURJTMIESA-N -1 3 247.245 2.130 10 0 BEAEHM CCOC(=O)c1[n-]nnc1[C@@H](CC)CC(F)F ZINC000725266632 538096527 /nfs/dbraw/zinc/09/65/27/538096527.db2.gz XCURYZHFDGZEBG-LURJTMIESA-N -1 3 247.245 2.130 10 0 BEAEHM CCOC(=O)c1n[n-]nc1[C@@H](CC)CC(F)F ZINC000725266632 538096529 /nfs/dbraw/zinc/09/65/29/538096529.db2.gz XCURYZHFDGZEBG-LURJTMIESA-N -1 3 247.245 2.130 10 0 BEAEHM Cc1nc(-c2ccc(F)cc2F)cc(=O)[n-]1 ZINC000235951503 350727310 /nfs/dbraw/zinc/72/73/10/350727310.db2.gz AWOUAZRDYYECII-UHFFFAOYSA-N -1 3 222.194 2.024 10 0 BEAEHM COc1c(F)cc([O-])cc1Br ZINC000215838241 350882201 /nfs/dbraw/zinc/88/22/01/350882201.db2.gz YFZWEMGGQDHOLP-UHFFFAOYSA-N -1 3 221.025 2.302 10 0 BEAEHM C[C@H]1CS[C@@H](c2cc([O-])cc(F)c2)N1 ZINC000159776780 350999584 /nfs/dbraw/zinc/99/95/84/350999584.db2.gz XRPFUPPGALWBFA-WKEGUHRASA-N -1 3 213.277 2.255 10 0 BEAEHM C[C@H](NO)c1cc([O-])ccc1Br ZINC000306791228 351042172 /nfs/dbraw/zinc/04/21/72/351042172.db2.gz WWKNQVLVOUMXQW-YFKPBYRVSA-N -1 3 232.077 2.195 10 0 BEAEHM CC[S@](=O)Nc1ccc(Cl)cc1[O-] ZINC000306809426 351061309 /nfs/dbraw/zinc/06/13/09/351061309.db2.gz RYWOQIKKRHBKDY-ZDUSSCGKSA-N -1 3 219.693 2.141 10 0 BEAEHM CCN1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616653708 351193824 /nfs/dbraw/zinc/19/38/24/351193824.db2.gz VXRTWNMDKIFDTA-CYBMUJFWSA-N -1 3 249.310 2.168 10 0 BEAEHM CCN1CCCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616648815 351177095 /nfs/dbraw/zinc/17/70/95/351177095.db2.gz CYFWYWXHUDBZNX-ZDUSSCGKSA-N -1 3 249.310 2.168 10 0 BEAEHM CCN1CCCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616649636 351178870 /nfs/dbraw/zinc/17/88/70/351178870.db2.gz OLCKPADRVQPWSE-ZDUSSCGKSA-N -1 3 249.310 2.168 10 0 BEAEHM CN(C)[C@H]1CCN(C(=O)[O-])c2ccccc21 ZINC000616673493 351237233 /nfs/dbraw/zinc/23/72/33/351237233.db2.gz BYBCQMIVHUCSEW-JTQLQIEISA-N -1 3 220.272 2.177 10 0 BEAEHM CCC[C@@H]1CCN(c2nc([O-])cs2)C1 ZINC000306159347 352985120 /nfs/dbraw/zinc/98/51/20/352985120.db2.gz NORRKLKZIHEOGZ-MRVPVSSYSA-N -1 3 212.318 2.475 10 0 BEAEHM COCc1cc(=O)[n-]c(-c2cc(C)ccc2C)n1 ZINC000051700172 188299541 /nfs/dbraw/zinc/29/95/41/188299541.db2.gz JFQYRXJUTOIKHN-UHFFFAOYSA-N -1 3 244.294 2.200 10 0 BEAEHM CC(C)(C)[C@H](N)c1nc2c(c(=O)[n-]1)CCCCC2 ZINC000104062021 188323526 /nfs/dbraw/zinc/32/35/26/188323526.db2.gz GQZBWUYQKXOULG-LLVKDONJSA-N -1 3 249.358 2.085 10 0 BEAEHM CCCCC[C@@H]1N[C@@H](CC(=O)[O-])CS1 ZINC000675078216 538514857 /nfs/dbraw/zinc/51/48/57/538514857.db2.gz CEKSYUHAMKWVJI-DTWKUNHWSA-N -1 3 217.334 2.073 10 0 BEAEHM COc1cccc(C(=O)N2C[C@H](C)C[C@H]2C)c1[O-] ZINC000134989266 358814632 /nfs/dbraw/zinc/81/46/32/358814632.db2.gz JSAVFSWUZRTKMM-NXEZZACHSA-N -1 3 249.310 2.271 10 0 BEAEHM O=c1c(CO)c[n-]c2cc(C(F)(F)F)ccc12 ZINC000039298182 359004148 /nfs/dbraw/zinc/00/41/48/359004148.db2.gz YOGIENHSLIMXBF-UHFFFAOYSA-N -1 3 243.184 2.039 10 0 BEAEHM C[C@@H](NO)c1ccc([O-])c(Br)c1 ZINC000306251348 359457544 /nfs/dbraw/zinc/45/75/44/359457544.db2.gz TYJGJZVZNRUZBQ-RXMQYKEDSA-N -1 3 232.077 2.195 10 0 BEAEHM Cc1nc(-c2cn[n-]c2)nc(Cl)c1C ZINC000306549326 360418558 /nfs/dbraw/zinc/41/85/58/360418558.db2.gz DOCRVSMUCFYMPU-UHFFFAOYSA-N -1 3 208.652 2.137 10 0 BEAEHM CCN(c1nc([O-])cs1)c1ccccc1 ZINC000006869950 361047856 /nfs/dbraw/zinc/04/78/56/361047856.db2.gz QRVYDHLNNGJDCZ-UHFFFAOYSA-N -1 3 220.297 2.142 10 0 BEAEHM [NH3+]CCCCCCCCCCP(=O)([O-])[O-] ZINC000096394985 181375489 /nfs/dbraw/zinc/37/54/89/181375489.db2.gz JXCXYNMSRUFZJX-UHFFFAOYSA-N -1 3 237.280 2.244 10 0 BEAEHM Cc1cccc([O-])c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000183051180 366970513 /nfs/dbraw/zinc/97/05/13/366970513.db2.gz IDZDCYZHUHOOIG-GXSJLCMTSA-N -1 3 235.283 2.207 10 0 BEAEHM COC(=O)c1cc([O-])cc(OC(F)(F)F)c1 ZINC000224203293 368366100 /nfs/dbraw/zinc/36/61/00/368366100.db2.gz BEGUQQVGYREBJN-UHFFFAOYSA-N -1 3 236.145 2.077 10 0 BEAEHM COc1cccc(C(=O)NC[C@@H](C)C2CC2)c1[O-] ZINC000132751296 371914071 /nfs/dbraw/zinc/91/40/71/371914071.db2.gz GDBJRVDXUXHGSJ-SECBINFHSA-N -1 3 249.310 2.177 10 0 BEAEHM O=C([N-]C1CCCC1)C(Cl)(Cl)Cl ZINC000003093846 182108713 /nfs/dbraw/zinc/10/87/13/182108713.db2.gz XICHCNYAGNFROM-UHFFFAOYSA-N -1 3 230.522 2.415 10 0 BEAEHM COC(=O)c1sc(-c2ccccc2)nc1[O-] ZINC000142476187 373558749 /nfs/dbraw/zinc/55/87/49/373558749.db2.gz SEMROMMAINODMM-UHFFFAOYSA-N -1 3 235.264 2.302 10 0 BEAEHM O=C(NCCc1cccs1)c1ccc([O-])cc1 ZINC000019839757 182209420 /nfs/dbraw/zinc/20/94/20/182209420.db2.gz ZIEUGOIURNTLDI-UHFFFAOYSA-N -1 3 247.319 2.426 10 0 BEAEHM O=C(Nc1ccncc1)Nc1ccccc1[O-] ZINC000027992207 182385959 /nfs/dbraw/zinc/38/59/59/182385959.db2.gz YKAWCOKIGYLUSR-UHFFFAOYSA-N -1 3 229.239 2.431 10 0 BEAEHM O=C([O-])[C@@H]1CCC[C@@H](Nc2ccncc2)C1 ZINC000070501536 182512143 /nfs/dbraw/zinc/51/21/43/182512143.db2.gz URMHKNXHPKKRGG-MWLCHTKSSA-N -1 3 220.272 2.137 10 0 BEAEHM O=c1ccnc(-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000034345826 183005098 /nfs/dbraw/zinc/00/50/98/183005098.db2.gz QJPFNLAOZYZROG-UHFFFAOYSA-N -1 3 240.184 2.456 10 0 BEAEHM O=c1cccc2[nH][n-]c(C(F)(F)F)c1-2 ZINC000089195836 183293674 /nfs/dbraw/zinc/29/36/74/183293674.db2.gz KDDIWJCICSFPKE-UHFFFAOYSA-N -1 3 202.135 2.287 10 0 BEAEHM [O-]c1cccc2[nH]nc(C(F)(F)F)c21 ZINC000089195836 183293676 /nfs/dbraw/zinc/29/36/76/183293676.db2.gz KDDIWJCICSFPKE-UHFFFAOYSA-N -1 3 202.135 2.287 10 0 BEAEHM [O-]c1cc(F)ccc1-c1cncc(O)c1 ZINC000065339029 183305304 /nfs/dbraw/zinc/30/53/04/183305304.db2.gz OSGZRIMRBVJBBH-UHFFFAOYSA-N -1 3 205.188 2.299 10 0 BEAEHM CCC[C@@H](C)N(C)Cc1cccnc1C(=O)[O-] ZINC000062752520 169365714 /nfs/dbraw/zinc/36/57/14/169365714.db2.gz FBJXACNNJBTRMA-SNVBAGLBSA-N -1 3 236.315 2.400 10 0 BEAEHM CC[C@H](C)c1nc2c(n[nH]c2C(C)C)c(=O)[n-]1 ZINC000089212065 383947308 /nfs/dbraw/zinc/94/73/08/383947308.db2.gz VHOQKNCQNRAMNY-ZETCQYMHSA-N -1 3 234.303 2.283 10 0 BEAEHM O=c1[n-]ncc(OC2CCCCC2)c1Cl ZINC000091366061 384123217 /nfs/dbraw/zinc/12/32/17/384123217.db2.gz GLZDFIIHPOGQPG-UHFFFAOYSA-N -1 3 228.679 2.135 10 0 BEAEHM CCc1cc(=O)[n-]c(CN2CCCC2(C)C)n1 ZINC000119888500 384314121 /nfs/dbraw/zinc/31/41/21/384314121.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N -1 3 235.331 2.119 10 0 BEAEHM CCOc1cc([O-])c(C=O)cc1OC(F)F ZINC000575655266 384350635 /nfs/dbraw/zinc/35/06/35/384350635.db2.gz BIHSADCFIMUUBR-UHFFFAOYSA-N -1 3 232.182 2.205 10 0 BEAEHM COC(=O)c1cc([O-])c2c(OC)ccc(O)c2c1 ZINC000095937622 384416305 /nfs/dbraw/zinc/41/63/05/384416305.db2.gz ZJSQEZDZRAKLFM-UHFFFAOYSA-N -1 3 248.234 2.046 10 0 BEAEHM O=C(CCc1ccccc1O)[N-]OC1CCCC1 ZINC000135687383 384460220 /nfs/dbraw/zinc/46/02/20/384460220.db2.gz WPBVCOOFBYWIIV-UHFFFAOYSA-N -1 3 249.310 2.315 10 0 BEAEHM CC(=O)c1c([O-])cc(Br)cc1O ZINC000575685366 384564954 /nfs/dbraw/zinc/56/49/54/384564954.db2.gz GBQDHQIEPIZFIF-UHFFFAOYSA-N -1 3 231.045 2.063 10 0 BEAEHM CC(C)(C)OC(=O)c1ccc(F)c([O-])c1 ZINC000141039876 384741836 /nfs/dbraw/zinc/74/18/36/384741836.db2.gz DGFGYLGKUGNYMJ-UHFFFAOYSA-N -1 3 212.220 2.487 10 0 BEAEHM C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000189219943 385138382 /nfs/dbraw/zinc/13/83/82/385138382.db2.gz KDUYNUQZWRFSDC-VHSXEESVSA-N -1 3 235.283 2.146 10 0 BEAEHM COC(=O)Cc1c(C)c(Cl)ccc1[O-] ZINC000260195949 385750292 /nfs/dbraw/zinc/75/02/92/385750292.db2.gz VBVSTGQXCFABIQ-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM COC(=O)c1cc([O-])cc(C)c1Cl ZINC000261164669 386010472 /nfs/dbraw/zinc/01/04/72/386010472.db2.gz XCIPYACSDULXBM-UHFFFAOYSA-N -1 3 200.621 2.141 10 0 BEAEHM CSc1nc2nnc(Cl)c-2c(Cl)[n-]1 ZINC000299889968 386498704 /nfs/dbraw/zinc/49/87/04/386498704.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N -1 3 235.099 2.382 10 0 BEAEHM CSc1nc(Cl)c2c(Cl)nnc-2[n-]1 ZINC000299889968 386498707 /nfs/dbraw/zinc/49/87/07/386498707.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N -1 3 235.099 2.382 10 0 BEAEHM CSc1nc2n[n-]c(Cl)c2c(Cl)n1 ZINC000299889968 386498712 /nfs/dbraw/zinc/49/87/12/386498712.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N -1 3 235.099 2.382 10 0 BEAEHM CSc1nc2[n-]nc(Cl)c2c(Cl)n1 ZINC000299889968 386498717 /nfs/dbraw/zinc/49/87/17/386498717.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N -1 3 235.099 2.382 10 0 BEAEHM CC(=O)c1ccc(OC(F)F)c(C=O)c1[O-] ZINC000575661223 387065248 /nfs/dbraw/zinc/06/52/48/387065248.db2.gz IFJSBEGFRRGPBE-UHFFFAOYSA-N -1 3 230.166 2.009 10 0 BEAEHM [O-]c1cc(Cl)c(Br)c(CO)c1 ZINC000575676850 387359225 /nfs/dbraw/zinc/35/92/25/387359225.db2.gz VXXKMDOZOMZTQZ-UHFFFAOYSA-N -1 3 237.480 2.300 10 0 BEAEHM COc1cc([O-])c(C(F)(F)F)c(OC)c1 ZINC000575671480 387334808 /nfs/dbraw/zinc/33/48/08/387334808.db2.gz KFGOPAFCARMXEA-UHFFFAOYSA-N -1 3 222.162 2.428 10 0 BEAEHM CC(=O)c1c(N)cc(C(F)(F)F)cc1[O-] ZINC000575719383 387427679 /nfs/dbraw/zinc/42/76/79/387427679.db2.gz SMMUZOCJTMCPRH-UHFFFAOYSA-N -1 3 219.162 2.196 10 0 BEAEHM CC[C@@H]1C[C@H]1Cn1ccc(=O)[n-]c1=S ZINC000306576365 387436724 /nfs/dbraw/zinc/43/67/24/387436724.db2.gz KDXKBTSDSHDHEP-SFYZADRCSA-N -1 3 210.302 2.364 10 0 BEAEHM CCOc1cc(N)c(Br)c([O-])c1 ZINC000575722440 387444360 /nfs/dbraw/zinc/44/43/60/387444360.db2.gz KQZGRRDUABRAPD-UHFFFAOYSA-N -1 3 232.077 2.136 10 0 BEAEHM CCOC(=O)c1ccc(N)c(C(F)(F)F)c1[O-] ZINC000575725888 387460538 /nfs/dbraw/zinc/46/05/38/387460538.db2.gz XCSPELZQVWDTHU-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM CCOC(=O)Cc1c(Cl)cc([O-])cc1OC ZINC000575700592 387403433 /nfs/dbraw/zinc/40/34/33/387403433.db2.gz MTRNEPNWHAVWHR-UHFFFAOYSA-N -1 3 244.674 2.160 10 0 BEAEHM COC(=O)c1cc(C(F)(F)F)c(F)cc1[O-] ZINC000575713591 387417296 /nfs/dbraw/zinc/41/72/96/387417296.db2.gz DSRJUIPRPGYZCS-UHFFFAOYSA-N -1 3 238.136 2.337 10 0 BEAEHM O=C1[N-]C(=O)C(=C2CCC(F)(F)CC2)S1 ZINC000584623618 387503026 /nfs/dbraw/zinc/50/30/26/387503026.db2.gz WDOABULSLOQEFF-UHFFFAOYSA-N -1 3 233.239 2.433 10 0 BEAEHM S=c1[n-]nc(-c2ncccc2Cl)o1 ZINC000575550466 387644160 /nfs/dbraw/zinc/64/41/60/387644160.db2.gz RTUXLTMUGHRMGN-UHFFFAOYSA-N -1 3 213.649 2.074 10 0 BEAEHM Cc1ccc(C(=O)NCc2cscn2)c([O-])c1 ZINC000050408684 387793265 /nfs/dbraw/zinc/79/32/65/387793265.db2.gz WCOYVLIYOAVENK-UHFFFAOYSA-N -1 3 248.307 2.087 10 0 BEAEHM CCc1cc(OC(F)F)cc([O-])c1C=O ZINC000575654074 387897384 /nfs/dbraw/zinc/89/73/84/387897384.db2.gz UVOJNHRMZNBTIS-UHFFFAOYSA-N -1 3 216.183 2.369 10 0 BEAEHM CCOc1cc([O-])c(OCC)c(C#N)c1 ZINC000575648745 387885140 /nfs/dbraw/zinc/88/51/40/387885140.db2.gz JAZLWMGNRFXUSL-UHFFFAOYSA-N -1 3 207.229 2.061 10 0 BEAEHM [O-]c1c(OC(F)F)cc(CO)cc1C(F)F ZINC000575651898 387900697 /nfs/dbraw/zinc/90/06/97/387900697.db2.gz GGVPRWAHZPPYJQ-UHFFFAOYSA-N -1 3 240.152 2.424 10 0 BEAEHM Cc1cnc([C@H](C)NC(=O)c2ccccc2[O-])o1 ZINC000226617010 134367990 /nfs/dbraw/zinc/36/79/90/134367990.db2.gz GENUJCJVXNZGHQ-VIFPVBQESA-N -1 3 246.266 2.180 10 0 BEAEHM CC(C)CN[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000037965501 167013824 /nfs/dbraw/zinc/01/38/24/167013824.db2.gz XVTAMTPWNGIXJW-NSHDSACASA-N -1 3 243.253 2.336 10 0 BEAEHM CCCCN(CC)Cc1ncccc1C(=O)[O-] ZINC000304190021 411352935 /nfs/dbraw/zinc/35/29/35/411352935.db2.gz UKFMGEYGISFXDB-UHFFFAOYSA-N -1 3 236.315 2.402 10 0 BEAEHM CCNc1c(C(=O)[O-])cnc2ccccc21 ZINC000041718996 170170094 /nfs/dbraw/zinc/17/00/94/170170094.db2.gz UFTWGMQMEQLEMZ-UHFFFAOYSA-N -1 3 216.240 2.365 10 0 BEAEHM CCOC(=O)c1cc2sc(C=O)cc2[n-]1 ZINC000082290987 170294712 /nfs/dbraw/zinc/29/47/12/170294712.db2.gz SOZSZCRBLCHJLB-UHFFFAOYSA-N -1 3 223.253 2.219 10 0 BEAEHM CC[C@H](C)C(=O)c1c(O)cc([O-])c(C)c1O ZINC000014593823 171256346 /nfs/dbraw/zinc/25/63/46/171256346.db2.gz XGJQNJPFHJCFDN-LURJTMIESA-N -1 3 224.256 2.341 10 0 BEAEHM COc1ccc([C@H](C(=O)[O-])N(C)C)cc1Cl ZINC000041289439 175187560 /nfs/dbraw/zinc/18/75/60/175187560.db2.gz VSMBBMMAEUQGGR-SNVBAGLBSA-N -1 3 243.690 2.036 10 0 BEAEHM COc1c2cc(OC)ccc2oc1C(=O)[O-] ZINC000034122978 175230906 /nfs/dbraw/zinc/23/09/06/175230906.db2.gz WHPMRULHYMBNDV-UHFFFAOYSA-N -1 3 222.196 2.148 10 0 BEAEHM COc1cccc(C(=O)N(C)C[C@@H]2C[C@H]2C)c1[O-] ZINC000104422361 175242824 /nfs/dbraw/zinc/24/28/24/175242824.db2.gz UWOGMVOSVQRJGQ-ZJUUUORDSA-N -1 3 249.310 2.129 10 0 BEAEHM C[C@@H]1C[C@@H](C)CN(Cc2ncccc2C(=O)[O-])C1 ZINC000062182879 176361934 /nfs/dbraw/zinc/36/19/34/176361934.db2.gz SKRRLCRUOIEQSA-GHMZBOCLSA-N -1 3 248.326 2.258 10 0 BEAEHM C[C@@](NC1CC1)(C(=O)[O-])c1ccccc1Cl ZINC000037183409 176512992 /nfs/dbraw/zinc/51/29/92/176512992.db2.gz JGOJQLMBOLWTJE-LBPRGKRZSA-N -1 3 239.702 2.392 10 0 BEAEHM O=C(CF)c1ccc(Br)cc1[O-] ZINC000169795982 487653767 /nfs/dbraw/zinc/65/37/67/487653767.db2.gz JUCUQDIXNUEOKK-UHFFFAOYSA-N -1 3 233.036 2.307 10 0 BEAEHM CC[C@@H]1CCN(Cc2ncccc2C(=O)[O-])C1 ZINC000304149678 487874001 /nfs/dbraw/zinc/87/40/01/487874001.db2.gz CDCRHKKYBWYEIF-SNVBAGLBSA-N -1 3 234.299 2.012 10 0 BEAEHM C[C@@H]1CCCN(Cc2ncccc2C(=O)[O-])CC1 ZINC000302341390 487956386 /nfs/dbraw/zinc/95/63/86/487956386.db2.gz MBGKHUYTMPUVSK-LLVKDONJSA-N -1 3 248.326 2.402 10 0 BEAEHM COc1cc(=O)oc(-c2ccccc2[O-])c1 ZINC000028861914 560091431 /nfs/dbraw/zinc/09/14/31/560091431.db2.gz FUNJTUFBEHVWPN-UHFFFAOYSA-N -1 3 218.208 2.021 10 0 biogenic,in-vitro BEAEHM CC[C@@H](C)C(=O)c1c(O)cc([O-])cc1O ZINC000000900229 560179608 /nfs/dbraw/zinc/17/96/08/560179608.db2.gz ASABIRFQGVWRDC-ZCFIWIBFSA-N -1 3 210.229 2.032 10 0 in-vitro BEAEHM CCc1cc(=S)n(-c2ccc(O)cc2)[n-]1 ZINC000757170494 582550849 /nfs/dbraw/zinc/55/08/49/582550849.db2.gz ILFUUMUKOXVFPQ-UHFFFAOYSA-N -1 3 220.297 2.429 10 0 BEAEHM CO[N-]C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000048962535 641704919 /nfs/dbraw/zinc/70/49/19/641704919.db2.gz BIVXWVROFZUTRM-LLVKDONJSA-N -1 3 249.310 2.183 10 0 BEAEHM Cc1ccc(CN(C)CCC(=O)[O-])c(F)c1 ZINC000686308904 954609700 /nfs/dbraw/zinc/60/97/00/954609700.db2.gz OOJWFRBPXHOZLE-UHFFFAOYSA-N -1 3 225.263 2.041 10 0 BEAEHM CC(C)c1nc(CNC[C@@H](C)C(=O)[O-])cs1 ZINC000707859241 954976337 /nfs/dbraw/zinc/97/63/37/954976337.db2.gz RBAMBMWAELYSOI-MRVPVSSYSA-N -1 3 242.344 2.077 10 0 BEAEHM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])[C@H]1C ZINC000706744914 977360580 /nfs/dbraw/zinc/36/05/80/977360580.db2.gz UOBZVYHGLDLNCQ-MNOVXSKESA-N -1 3 249.310 2.104 10 0 BEAEHM O=C([O-])c1ccc(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000706932661 977368513 /nfs/dbraw/zinc/36/85/13/977368513.db2.gz AAERCBHPYOPONE-ONGXEEELSA-N -1 3 235.283 2.352 10 0 BEAEHM C[C@H]1CN(Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915304 977368941 /nfs/dbraw/zinc/36/89/41/977368941.db2.gz MWTZLBWDCFNSNE-YUMQZZPRSA-N -1 3 225.313 2.287 10 0 BEAEHM O=C([O-])c1ccc(CN2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707025264 977373805 /nfs/dbraw/zinc/37/38/05/977373805.db2.gz FDZFSOJRPWDBNE-QPUJVOFHSA-N -1 3 235.258 2.118 10 0 BEAEHM CC(C)(C)OC(=O)c1nn[n-]c1C(C)(C)C ZINC000685953975 538898482 /nfs/dbraw/zinc/89/84/82/538898482.db2.gz RAFYSVLMZSQWOW-UHFFFAOYSA-N -1 3 225.292 2.058 10 0 BEAEHM CC(C)(C)OC(=O)c1[n-]nnc1C(C)(C)C ZINC000685953975 538898484 /nfs/dbraw/zinc/89/84/84/538898484.db2.gz RAFYSVLMZSQWOW-UHFFFAOYSA-N -1 3 225.292 2.058 10 0 BEAEHM CC(C)(C)OC(=O)c1n[n-]nc1C(C)(C)C ZINC000685953975 538898485 /nfs/dbraw/zinc/89/84/85/538898485.db2.gz RAFYSVLMZSQWOW-UHFFFAOYSA-N -1 3 225.292 2.058 10 0 BEAEHM Nc1ccc2nc(C(F)F)c([O-])cc2c1 ZINC000685963025 538909555 /nfs/dbraw/zinc/90/95/55/538909555.db2.gz DVAANCDLQXRBMK-UHFFFAOYSA-N -1 3 210.183 2.460 10 0 BEAEHM CCC[C@H](c1[n-]nnc1C(=O)OC)C(C)C ZINC000685952881 538897055 /nfs/dbraw/zinc/89/70/55/538897055.db2.gz DVZXMBWGQRINDM-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM CCC[C@H](c1nn[n-]c1C(=O)OC)C(C)C ZINC000685952881 538897057 /nfs/dbraw/zinc/89/70/57/538897057.db2.gz DVZXMBWGQRINDM-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM CCC[C@H](c1n[n-]nc1C(=O)OC)C(C)C ZINC000685952881 538897059 /nfs/dbraw/zinc/89/70/59/538897059.db2.gz DVZXMBWGQRINDM-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM COc1cc(C(=O)[O-])ccc1CN1CCCCC1 ZINC000258214950 349501804 /nfs/dbraw/zinc/50/18/04/349501804.db2.gz WXKBNTHMYLLMLU-UHFFFAOYSA-N -1 3 249.310 2.379 10 0 BEAEHM C[C@@H]1CN[C@@H](c2ccc([O-])c(F)c2)S1 ZINC000232448126 398179019 /nfs/dbraw/zinc/17/90/19/398179019.db2.gz INOSUDMLJCMQAZ-LHLIQPBNSA-N -1 3 213.277 2.255 10 0 BEAEHM O=C([O-])c1cc(F)cc(CN2CCCC2)c1 ZINC000163613806 538929580 /nfs/dbraw/zinc/92/95/80/538929580.db2.gz PVSWHWCILNLINC-UHFFFAOYSA-N -1 3 223.247 2.120 10 0 BEAEHM CC(C)N(C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163625298 538929817 /nfs/dbraw/zinc/92/98/17/538929817.db2.gz YXZPSLUVRJEGLS-UHFFFAOYSA-N -1 3 225.263 2.364 10 0 BEAEHM CC(C)N1Cc2ccccc2[C@H]1CC(=O)[O-] ZINC000149792261 342794767 /nfs/dbraw/zinc/79/47/67/342794767.db2.gz DVWGICSQDVNBJR-GFCCVEGCSA-N -1 3 219.284 2.426 10 0 BEAEHM O=c1[n-]c(-c2ccc(F)cc2)nc2c1CCCC2 ZINC000042404075 187231853 /nfs/dbraw/zinc/23/18/53/187231853.db2.gz SHJRSUMAMWOFKI-UHFFFAOYSA-N -1 3 244.269 2.455 10 0 BEAEHM O=c1cn[n-]c2ccc(C(F)(F)F)cc12 ZINC000148951692 343415321 /nfs/dbraw/zinc/41/53/21/343415321.db2.gz XNPHXDISDARIEN-UHFFFAOYSA-N -1 3 214.146 2.354 10 0 BEAEHM CC(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000047832895 343566300 /nfs/dbraw/zinc/56/63/00/343566300.db2.gz CKNQUCNSEPYMLH-UHFFFAOYSA-N -1 3 244.294 2.056 10 0 BEAEHM Cc1oc2c(cc(F)cc2Cl)c1[O-] ZINC000043633279 343632000 /nfs/dbraw/zinc/63/20/00/343632000.db2.gz JNCGFEAIVWQPIP-BYPYZUCNSA-N -1 3 200.596 2.443 10 0 BEAEHM FC(F)c1nnc(-c2cccs2)[n-]1 ZINC000054700050 343697672 /nfs/dbraw/zinc/69/76/72/343697672.db2.gz KYMXYDDUPGUKDX-UHFFFAOYSA-N -1 3 201.201 2.471 10 0 BEAEHM FC(F)c1n[n-]c(-c2cccs2)n1 ZINC000054700050 343697675 /nfs/dbraw/zinc/69/76/75/343697675.db2.gz KYMXYDDUPGUKDX-UHFFFAOYSA-N -1 3 201.201 2.471 10 0 BEAEHM FC(F)c1nc(-c2cccs2)n[n-]1 ZINC000054700050 343697676 /nfs/dbraw/zinc/69/76/76/343697676.db2.gz KYMXYDDUPGUKDX-UHFFFAOYSA-N -1 3 201.201 2.471 10 0 BEAEHM Cc1ccc(Cc2cc(=O)[n-]cn2)cc1 ZINC000409427834 343802233 /nfs/dbraw/zinc/80/22/33/343802233.db2.gz CNMGGPFUFSQUNQ-UHFFFAOYSA-N -1 3 200.241 2.081 10 0 BEAEHM CN1C[C@H](C(=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000212891052 343791736 /nfs/dbraw/zinc/79/17/36/343791736.db2.gz NUOMWGOJVGKZPL-LDYMZIIASA-N -1 3 239.702 2.417 10 0 BEAEHM O=c1cc(Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000198525315 343792176 /nfs/dbraw/zinc/79/21/76/343792176.db2.gz ZLESNEMNFITHLJ-UHFFFAOYSA-N -1 3 226.279 2.238 10 0 BEAEHM O=c1cc(-c2ccsc2)nc(C2CC2)[n-]1 ZINC000224803200 343793148 /nfs/dbraw/zinc/79/31/48/343793148.db2.gz PICIPMHIYJGSJK-UHFFFAOYSA-N -1 3 218.281 2.376 10 0 BEAEHM COC(=O)Cc1ccc(C(F)(F)F)c([O-])c1 ZINC000309175962 346976988 /nfs/dbraw/zinc/97/69/88/346976988.db2.gz WXFWKSNCOCWIGL-UHFFFAOYSA-N -1 3 234.173 2.127 10 0 BEAEHM Cc1nc(C)c(-c2cc(=O)[n-]c(C)n2)s1 ZINC000409429316 343805171 /nfs/dbraw/zinc/80/51/71/343805171.db2.gz JATMEKQIDBTGRJ-UHFFFAOYSA-N -1 3 221.285 2.231 10 0 BEAEHM Cc1nc(Cc2ccccc2F)cc(=O)[n-]1 ZINC000409430522 343808730 /nfs/dbraw/zinc/80/87/30/343808730.db2.gz MBGBFZKPHOUNRW-UHFFFAOYSA-N -1 3 218.231 2.221 10 0 BEAEHM Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000625735176 344061109 /nfs/dbraw/zinc/06/11/09/344061109.db2.gz VOGMVGPKODQXAM-MNOVXSKESA-N -1 3 231.295 2.325 10 0 BEAEHM CCOc1cc(C=O)cc(C2CC2)c1[O-] ZINC000218323658 344229345 /nfs/dbraw/zinc/22/93/45/344229345.db2.gz FUXMURMFQGGHFI-UHFFFAOYSA-N -1 3 206.241 2.481 10 0 BEAEHM Cn1nc(-c2ccc(Cl)o2)[n-]c1=S ZINC000236093735 344297018 /nfs/dbraw/zinc/29/70/18/344297018.db2.gz NDJPMCGKVQBFRW-UHFFFAOYSA-N -1 3 215.665 2.017 10 0 BEAEHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@@H]2C3)c1 ZINC000042351173 344451629 /nfs/dbraw/zinc/45/16/29/344451629.db2.gz DENRBDSHZYOHGY-WDEREUQCSA-N -1 3 231.295 2.325 10 0 BEAEHM CCOC(=O)c1c([O-])c(C#N)ccc1CC ZINC000396135175 344613221 /nfs/dbraw/zinc/61/32/21/344613221.db2.gz HJQDGSSUKZMFBY-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM Cc1ccc(-c2nn(C)c(=S)[n-]2)s1 ZINC000127787415 344651259 /nfs/dbraw/zinc/65/12/59/344651259.db2.gz JYYRAWOIGDVQRV-UHFFFAOYSA-N -1 3 211.315 2.141 10 0 BEAEHM COc1c(C)ccc([O-])c1Br ZINC000215480410 344676886 /nfs/dbraw/zinc/67/68/86/344676886.db2.gz PJOKVFOJCNDRME-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM COc1ccc(C)c(Br)c1[O-] ZINC000215481081 344677785 /nfs/dbraw/zinc/67/77/85/344677785.db2.gz ABUJVKXMXBTOJT-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM CCOC(=O)c1c(C#N)ccc([O-])c1CC ZINC000396147882 344621433 /nfs/dbraw/zinc/62/14/33/344621433.db2.gz YUTMGUMGQYIBBD-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM [O-]c1ccc([C@H]2NCCS2)cc1Cl ZINC000050522981 344706294 /nfs/dbraw/zinc/70/62/94/344706294.db2.gz VQCINHIXIHFANQ-VIFPVBQESA-N -1 3 215.705 2.381 10 0 BEAEHM [O-]C(=Cc1cncs1)c1ccncc1F ZINC000166731746 345000799 /nfs/dbraw/zinc/00/07/99/345000799.db2.gz GUEUZJKOBNIFDP-UHFFFAOYSA-N -1 3 222.244 2.103 10 0 BEAEHM Cc1cccc(C(=O)N[C@H](C)C(C)C)c1[O-] ZINC000020304732 323084744 /nfs/dbraw/zinc/08/47/44/323084744.db2.gz QVKLDKRVNZQYNP-SNVBAGLBSA-N -1 3 221.300 2.475 10 0 BEAEHM CNC(=O)[C@@H]([N-]c1nc2ccccc2o1)C(C)C ZINC000205502612 345732789 /nfs/dbraw/zinc/73/27/89/345732789.db2.gz USCHEYPSJDOAKE-NSHDSACASA-N -1 3 247.298 2.010 10 0 BEAEHM CSCc1nc(C)c(C(C)C)c(=O)[n-]1 ZINC000061688289 345827726 /nfs/dbraw/zinc/82/77/26/345827726.db2.gz CVRZBSMVNODLTM-UHFFFAOYSA-N -1 3 212.318 2.065 10 0 BEAEHM COC(=O)c1cccc2[n-]c(SC)nc21 ZINC000143653907 345866398 /nfs/dbraw/zinc/86/63/98/345866398.db2.gz WEKXACUYHXDDBD-UHFFFAOYSA-N -1 3 222.269 2.071 10 0 BEAEHM Cc1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1[O-] ZINC000336319548 179014057 /nfs/dbraw/zinc/01/40/57/179014057.db2.gz AOKVRMWCIUZWFI-ZYHUDNBSSA-N -1 3 231.295 2.325 10 0 BEAEHM S=c1[n-]nc(-c2ccoc2Cl)o1 ZINC000236617149 346261018 /nfs/dbraw/zinc/26/10/18/346261018.db2.gz VMUOASDACCZIQF-UHFFFAOYSA-N -1 3 202.622 2.272 10 0 BEAEHM CC(=O)c1c([O-])c(C)c(C)c2ccc(=O)oc21 ZINC000196085518 347791428 /nfs/dbraw/zinc/79/14/28/347791428.db2.gz YGNQEADUUIINCM-UHFFFAOYSA-N -1 3 232.235 2.318 10 0 BEAEHM C=C(C)[C@@H]1Cc2c(ccc(C=O)c2[O-])O1 ZINC000196842622 348033272 /nfs/dbraw/zinc/03/32/72/348033272.db2.gz MUUPNIQFJFPAAN-NSHDSACASA-N -1 3 204.225 2.084 10 0 BEAEHM CCCc1cc(=O)c2c(CC)noc2[n-]1 ZINC000669384085 538012969 /nfs/dbraw/zinc/01/29/69/538012969.db2.gz NMRUOPOFGQUWNK-UHFFFAOYSA-N -1 3 206.245 2.443 10 0 BEAEHM CC(C)CC(=O)C=C([O-])C(F)(F)C(F)F ZINC000100316401 191062507 /nfs/dbraw/zinc/06/25/07/191062507.db2.gz RMINFXRXUDKHLV-UHFFFAOYSA-N -1 3 228.185 2.461 10 0 BEAEHM CC(C)CC([O-])=CC(=O)C(F)(F)C(F)F ZINC000100316401 191062509 /nfs/dbraw/zinc/06/25/09/191062509.db2.gz RMINFXRXUDKHLV-UHFFFAOYSA-N -1 3 228.185 2.461 10 0 BEAEHM Cc1ncc(CNC(=O)c2ccc([O-])cc2)s1 ZINC000049534806 180149413 /nfs/dbraw/zinc/14/94/13/180149413.db2.gz UIKNMWGUDBTRHN-UHFFFAOYSA-N -1 3 248.307 2.087 10 0 BEAEHM COCOc1ccc(C=O)c([O-])c1C1CC1 ZINC000222168406 350232109 /nfs/dbraw/zinc/23/21/09/350232109.db2.gz XMXNXGSGDPRPJV-UHFFFAOYSA-N -1 3 222.240 2.065 10 0 BEAEHM CSCC(=O)c1cc(F)ccc1[O-] ZINC000038064037 350301873 /nfs/dbraw/zinc/30/18/73/350301873.db2.gz OUGVXTVBZDSGEO-UHFFFAOYSA-N -1 3 200.234 2.077 10 0 BEAEHM CCC[C@H]1C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000227616677 350503747 /nfs/dbraw/zinc/50/37/47/350503747.db2.gz SAWUNOFQBBQQHS-JOYOIKCWSA-N -1 3 219.284 2.311 10 0 BEAEHM CCOC(=O)c1nn[n-]c1[C@@H]1CCCC12CC2 ZINC000725266585 538095286 /nfs/dbraw/zinc/09/52/86/538095286.db2.gz RLYYEQDVEVZJRE-QMMMGPOBSA-N -1 3 235.287 2.029 10 0 BEAEHM CCOC(=O)c1[n-]nnc1[C@@H]1CCCC12CC2 ZINC000725266585 538095287 /nfs/dbraw/zinc/09/52/87/538095287.db2.gz RLYYEQDVEVZJRE-QMMMGPOBSA-N -1 3 235.287 2.029 10 0 BEAEHM CCOC(=O)c1n[n-]nc1[C@@H]1CCCC12CC2 ZINC000725266585 538095290 /nfs/dbraw/zinc/09/52/90/538095290.db2.gz RLYYEQDVEVZJRE-QMMMGPOBSA-N -1 3 235.287 2.029 10 0 BEAEHM C[C@@H]1CCC[C@H](CC(=O)c2cnn[n-]2)C1 ZINC000306720153 350880402 /nfs/dbraw/zinc/88/04/02/350880402.db2.gz MMBFVBWPCIIAMV-BDAKNGLRSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@@H]1CCC[C@H](CC(=O)c2c[n-]nn2)C1 ZINC000306720153 350880404 /nfs/dbraw/zinc/88/04/04/350880404.db2.gz MMBFVBWPCIIAMV-BDAKNGLRSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@@H]1CCC[C@H](CC(=O)c2cn[n-]n2)C1 ZINC000306720153 350880406 /nfs/dbraw/zinc/88/04/06/350880406.db2.gz MMBFVBWPCIIAMV-BDAKNGLRSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@@H]1CS[C@H](c2cc([O-])cc(F)c2)N1 ZINC000159776363 350999678 /nfs/dbraw/zinc/99/96/78/350999678.db2.gz XRPFUPPGALWBFA-LHLIQPBNSA-N -1 3 213.277 2.255 10 0 BEAEHM Cc1cccc([O-])c1N[S@@](=O)C(C)C ZINC000306810851 351078735 /nfs/dbraw/zinc/07/87/35/351078735.db2.gz VJWZYJUCKCBPAW-AWEZNQCLSA-N -1 3 213.302 2.185 10 0 BEAEHM [O-]c1ccc(O)cc1-c1ccnc(Cl)n1 ZINC000307147042 351499062 /nfs/dbraw/zinc/49/90/62/351499062.db2.gz HPRVFUALKFCERK-UHFFFAOYSA-N -1 3 222.631 2.208 10 0 BEAEHM C[C@@H](C(F)F)n1ccc(=O)[n-]c1=S ZINC000307308858 351949993 /nfs/dbraw/zinc/94/99/93/351949993.db2.gz FACHOXBGXGDCCN-BYPYZUCNSA-N -1 3 206.217 2.144 10 0 BEAEHM O=Cc1cc(=O)[n-]c(C2CCCCC2)n1 ZINC000307436484 352596161 /nfs/dbraw/zinc/59/61/61/352596161.db2.gz TYTHVMMGXJNKMI-UHFFFAOYSA-N -1 3 206.245 2.042 10 0 BEAEHM CN(c1ccncc1C(=O)[O-])C(C)(C)C ZINC000306546604 353023580 /nfs/dbraw/zinc/02/35/80/353023580.db2.gz BLFRDGUOJSUIKL-UHFFFAOYSA-N -1 3 208.261 2.015 10 0 BEAEHM C[C@]1(c2nc(Cl)n[n-]2)CCCS1 ZINC000307056246 353052210 /nfs/dbraw/zinc/05/22/10/353052210.db2.gz BWWOVFQAJKRWBT-SSDOTTSWSA-N -1 3 203.698 2.200 10 0 BEAEHM CC[C@@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000037915243 358480301 /nfs/dbraw/zinc/48/03/01/358480301.db2.gz VJMWOCWRXKGYLZ-SNVBAGLBSA-N -1 3 249.310 2.415 10 0 BEAEHM NC(=O)N([O-])[C@@H]1COc2c1ccc1ccccc21 ZINC000013760603 181249233 /nfs/dbraw/zinc/24/92/33/181249233.db2.gz RZIXULQOGAETTQ-LLVKDONJSA-N -1 3 244.250 2.043 10 0 BEAEHM NC(=O)N([O-])c1ccc(Cl)c(Cl)c1 ZINC000022114268 181249245 /nfs/dbraw/zinc/24/92/45/181249245.db2.gz YZYLGSPKGIALHZ-UHFFFAOYSA-N -1 3 221.043 2.268 10 0 BEAEHM C[C@H]([C@H]1N[C@@H](C(=O)[O-])CCS1)C(C)(C)C ZINC000306321727 359608905 /nfs/dbraw/zinc/60/89/05/359608905.db2.gz UAOCXGRRICWKIC-HLTSFMKQSA-N -1 3 231.361 2.174 10 0 BEAEHM CO[C@@H](C)CNc1ccc([O-])c(Cl)c1 ZINC000306573337 360462913 /nfs/dbraw/zinc/46/29/13/360462913.db2.gz HKXZWGFCZDYCGE-ZETCQYMHSA-N -1 3 215.680 2.492 10 0 BEAEHM COc1cnc(-c2ccco2)[n-]c1=S ZINC000306600114 360521667 /nfs/dbraw/zinc/52/16/67/360521667.db2.gz IQWCMQHWPJWLTL-UHFFFAOYSA-N -1 3 208.242 2.408 10 0 BEAEHM O=c1ccocc1-c1nc2ccccc2[n-]1 ZINC000238624590 361167773 /nfs/dbraw/zinc/16/77/73/361167773.db2.gz CXTSCOMOTYUABF-UHFFFAOYSA-N -1 3 212.208 2.183 10 0 BEAEHM O=c1cc([C@@H]2C[C@@H]2c2ccccc2)[n-][nH]1 ZINC000238700787 361180032 /nfs/dbraw/zinc/18/00/32/361180032.db2.gz RBZJEPPZUOQABD-NXEZZACHSA-N -1 3 200.241 2.386 10 0 BEAEHM CCCc1noc2[n-]c(CC)cc(=O)c12 ZINC000669383982 541437298 /nfs/dbraw/zinc/43/72/98/541437298.db2.gz MFTNCHJCDPOWDP-UHFFFAOYSA-N -1 3 206.245 2.443 10 0 BEAEHM COC(=O)c1cc([O-])c(C)c(Cl)c1 ZINC000038416706 368251988 /nfs/dbraw/zinc/25/19/88/368251988.db2.gz NWFZDTNXHPBQNP-UHFFFAOYSA-N -1 3 200.621 2.141 10 0 BEAEHM O=c1cc(C(F)(F)F)nc(C2CCCC2)[n-]1 ZINC000224779621 368367957 /nfs/dbraw/zinc/36/79/57/368367957.db2.gz BDBVDEHURNSQQQ-UHFFFAOYSA-N -1 3 232.205 2.446 10 0 BEAEHM C[C@H](c1nc2c(c(=O)[n-]1)CC(C)(C)CC2)N(C)C ZINC000114721440 368949194 /nfs/dbraw/zinc/94/91/94/368949194.db2.gz ZBKWRYXQSRLFPS-SECBINFHSA-N -1 3 249.358 2.320 10 0 BEAEHM O=c1[nH]c2sccc2c2c([O-])cccc12 ZINC000000003267 369349454 /nfs/dbraw/zinc/34/94/54/369349454.db2.gz ZKARURYMSBJCQS-UHFFFAOYSA-N -1 3 217.249 2.448 10 0 BEAEHM Nc1ccc(Br)c(Cl)c1[O-] ZINC000216228439 371722914 /nfs/dbraw/zinc/72/29/14/371722914.db2.gz NRULKMZIJQZMCR-UHFFFAOYSA-N -1 3 222.469 2.390 10 0 BEAEHM Cc1nc(NCc2ccccc2)cc(=O)[n-]1 ZINC000162761682 371842479 /nfs/dbraw/zinc/84/24/79/371842479.db2.gz CGJGIMJXDNWABF-UHFFFAOYSA-N -1 3 215.256 2.103 10 0 BEAEHM Cn1nc(-c2ccccc2Cl)[n-]c1=S ZINC000228056001 371982885 /nfs/dbraw/zinc/98/28/85/371982885.db2.gz VXFBBAVMRADARI-UHFFFAOYSA-N -1 3 225.704 2.424 10 0 BEAEHM O=C([O-])[C@@H]1NCCc2c(Cl)cc(Cl)cc21 ZINC000082786195 182522958 /nfs/dbraw/zinc/52/29/58/182522958.db2.gz HFJIEIYJKVDVIV-SECBINFHSA-N -1 3 246.093 2.265 10 0 BEAEHM O=c1ccc2cc(-c3ccccn3)cc([O-])c2[nH]1 ZINC000026499293 183001068 /nfs/dbraw/zinc/00/10/68/183001068.db2.gz JGXFKSZAAFOGHG-UHFFFAOYSA-N -1 3 238.246 2.296 10 0 BEAEHM O=c1cccc(-c2cc([O-])ccc2Cl)[nH]1 ZINC000065339278 183002659 /nfs/dbraw/zinc/00/26/59/183002659.db2.gz XHMZQYMDVGKFIS-UHFFFAOYSA-N -1 3 221.643 2.401 10 0 BEAEHM CCCN(CC)C(=O)c1cccc(OC)c1[O-] ZINC000037023383 169118626 /nfs/dbraw/zinc/11/86/26/169118626.db2.gz XSCHRTVWXGGRTI-UHFFFAOYSA-N -1 3 237.299 2.273 10 0 BEAEHM CCCN(CC)c1ccc2c(c1)[N-]C(=O)C2=O ZINC000036193247 169134214 /nfs/dbraw/zinc/13/42/14/169134214.db2.gz DUISTRZDZZPOCB-UHFFFAOYSA-N -1 3 232.283 2.058 10 0 BEAEHM O=c1cc(C(F)(F)F)nc([C@@H]2CCCCN2)[n-]1 ZINC000071396344 183256825 /nfs/dbraw/zinc/25/68/25/183256825.db2.gz ALAKRTUESKWHDP-LURJTMIESA-N -1 3 247.220 2.016 10 0 BEAEHM O=c1cccc(-c2ccc(F)cc2[O-])[nH]1 ZINC000065339032 183286435 /nfs/dbraw/zinc/28/64/35/183286435.db2.gz HSUMEULBNFBILH-UHFFFAOYSA-N -1 3 205.188 2.299 10 0 BEAEHM CCCNc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000041662756 169295879 /nfs/dbraw/zinc/29/58/79/169295879.db2.gz XWBOLOHOEDFMDO-UHFFFAOYSA-N -1 3 229.283 2.259 10 0 BEAEHM CC(C)(C)c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000066327958 383856838 /nfs/dbraw/zinc/85/68/38/383856838.db2.gz GSKVWYTUBVEFEC-UHFFFAOYSA-N -1 3 220.194 2.086 10 0 BEAEHM FC(F)(F)c1[n-]nc2c1ncnc2Cl ZINC000089211999 383946219 /nfs/dbraw/zinc/94/62/19/383946219.db2.gz PPRRNOOFNKHMSI-UHFFFAOYSA-N -1 3 222.557 2.025 10 0 BEAEHM CCOc1ccc(-c2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC000072417215 384217527 /nfs/dbraw/zinc/21/75/27/384217527.db2.gz BEGRZHCBVKTAMU-UHFFFAOYSA-N -1 3 248.307 2.498 10 0 BEAEHM O=C(NCCc1ccsc1)c1ccccc1[O-] ZINC000042240237 384634592 /nfs/dbraw/zinc/63/45/92/384634592.db2.gz BQSBGSZAWXIOII-UHFFFAOYSA-N -1 3 247.319 2.426 10 0 BEAEHM N=c1[n-]oc([C@]23C[C@H]2CCC3)c1Br ZINC000575531041 385874188 /nfs/dbraw/zinc/87/41/88/385874188.db2.gz GNJCPVXAPFXSJK-MLUIRONXSA-N -1 3 243.104 2.291 10 0 BEAEHM CCOC(=O)c1cc(OC)c([O-])cc1Cl ZINC000261035380 386004657 /nfs/dbraw/zinc/00/46/57/386004657.db2.gz GQPJOCKZSJWLQT-UHFFFAOYSA-N -1 3 230.647 2.231 10 0 BEAEHM COCCNc1ccc([O-])c(Cl)c1 ZINC000306921675 386708458 /nfs/dbraw/zinc/70/84/58/386708458.db2.gz RJSRVSNIGHZLTC-UHFFFAOYSA-N -1 3 201.653 2.104 10 0 BEAEHM C[C@H]1OCC[C@@H]1NCc1cccc([O-])c1Cl ZINC000293248655 386788538 /nfs/dbraw/zinc/78/85/38/386788538.db2.gz LWGOHSVCUCHDMM-SCZZXKLOSA-N -1 3 241.718 2.313 10 0 BEAEHM Nc1cc(Br)c([O-])cc1Cl ZINC000575470839 387103686 /nfs/dbraw/zinc/10/36/86/387103686.db2.gz IIUDXJGCBDZPRP-UHFFFAOYSA-N -1 3 222.469 2.390 10 0 BEAEHM Cc1cc([O-])c(C=O)c(OC(F)F)c1 ZINC000575662802 387192030 /nfs/dbraw/zinc/19/20/30/387192030.db2.gz JBWTWURIPFOUGW-UHFFFAOYSA-N -1 3 202.156 2.115 10 0 BEAEHM CCOc1cc(C(F)F)c([O-])cc1CO ZINC000575666678 387319175 /nfs/dbraw/zinc/31/91/75/387319175.db2.gz KVFLDZCONWZBSI-UHFFFAOYSA-N -1 3 218.199 2.221 10 0 BEAEHM O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[O-] ZINC000648605848 387376717 /nfs/dbraw/zinc/37/67/17/387376717.db2.gz YAWWAIBLJLXGTP-MVWJERBFSA-N -1 3 231.295 2.311 10 0 BEAEHM COc1cc(Br)c([O-])cc1C(C)=O ZINC000575690462 387381778 /nfs/dbraw/zinc/38/17/78/387381778.db2.gz QQRPEKBWNFAPME-UHFFFAOYSA-N -1 3 245.072 2.366 10 0 BEAEHM Nc1cc([O-])c(Cl)c(OC(F)F)c1 ZINC000575722549 387446241 /nfs/dbraw/zinc/44/62/41/387446241.db2.gz OQRXEMASRAJYSE-UHFFFAOYSA-N -1 3 209.579 2.229 10 0 BEAEHM CCOC(=O)c1cc([O-])cc(OC)c1Cl ZINC000575700455 387403166 /nfs/dbraw/zinc/40/31/66/387403166.db2.gz LEDZVGDYTLIERT-UHFFFAOYSA-N -1 3 230.647 2.231 10 0 BEAEHM CCOC(=O)Cc1cc([O-])cc(F)c1Cl ZINC000575701350 387405089 /nfs/dbraw/zinc/40/50/89/387405089.db2.gz WKKJTIFJPPIEMC-UHFFFAOYSA-N -1 3 232.638 2.290 10 0 BEAEHM COC(=O)Cc1cc(C)c(Cl)cc1[O-] ZINC000575712598 387417336 /nfs/dbraw/zinc/41/73/36/387417336.db2.gz LZXXCFPNVWQFAD-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@H]21 ZINC000336593464 387418140 /nfs/dbraw/zinc/41/81/40/387418140.db2.gz RXHDDYHXGJGVAL-GXSJLCMTSA-N -1 3 217.268 2.017 10 0 BEAEHM Cc1ccc(Br)c2occ([O-])c21 ZINC000575545047 387628039 /nfs/dbraw/zinc/62/80/39/387628039.db2.gz NJHKFRLZMZZLQI-UHFFFAOYSA-N -1 3 227.057 2.333 10 0 BEAEHM CCc1cc([O-])c(C=O)cc1OC(F)F ZINC000575654281 387897685 /nfs/dbraw/zinc/89/76/85/387897685.db2.gz YAFXNDBLWIJONJ-UHFFFAOYSA-N -1 3 216.183 2.369 10 0 BEAEHM Cc1ccc([C@H]2CCCN2CC(=O)[O-])s1 ZINC000237792258 388398565 /nfs/dbraw/zinc/39/85/65/388398565.db2.gz GKWPRBFEOHNVSE-SECBINFHSA-N -1 3 225.313 2.278 10 0 BEAEHM CCC[C@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000019838068 388749205 /nfs/dbraw/zinc/74/92/05/388749205.db2.gz NJHRZWCIFHEZJP-VIFPVBQESA-N -1 3 237.299 2.319 10 0 BEAEHM CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000231694921 388840782 /nfs/dbraw/zinc/84/07/82/388840782.db2.gz SKXWCQOPFHIKRZ-KOLCDFICSA-N -1 3 219.284 2.311 10 0 BEAEHM CCC[C@@H]1C[C@H]1NC(=O)c1cc(OC)ccc1[O-] ZINC000231694702 388841696 /nfs/dbraw/zinc/84/16/96/388841696.db2.gz LVDURQAMJKZUIH-BXKDBHETSA-N -1 3 249.310 2.319 10 0 BEAEHM COc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000336143817 134101357 /nfs/dbraw/zinc/10/13/57/134101357.db2.gz YTSVPBQTWNFTCK-JOYOIKCWSA-N -1 3 247.294 2.025 10 0 BEAEHM CC(C)OC(=S)[N-]Cc1ccccc1 ZINC000015785082 167173719 /nfs/dbraw/zinc/17/37/19/167173719.db2.gz VXNDLKVZIVDSGP-UHFFFAOYSA-N -1 3 209.314 2.486 10 0 BEAEHM CC(C)Oc1ccc(-c2nccc(=O)[n-]2)cc1 ZINC000037742924 167287770 /nfs/dbraw/zinc/28/77/70/167287770.db2.gz PZQYEWXUJUVKJI-UHFFFAOYSA-N -1 3 230.267 2.224 10 0 BEAEHM C[C@@H]1CC[C@H](C)N1Cc1ncccc1C(=O)[O-] ZINC000652440737 411243006 /nfs/dbraw/zinc/24/30/06/411243006.db2.gz YKLMFOIPZZSBTM-AOOOYVTPSA-N -1 3 234.299 2.153 10 0 BEAEHM C[C@@H]1[C@@H](C)CCCN1Cc1ncccc1C(=O)[O-] ZINC000305993956 411430120 /nfs/dbraw/zinc/43/01/20/411430120.db2.gz TZVCCMCPPFOTGN-WDEREUQCSA-N -1 3 248.326 2.400 10 0 BEAEHM CCOC(=O)CC(=O)c1cc(Cl)ccc1[O-] ZINC000076819026 170197107 /nfs/dbraw/zinc/19/71/07/170197107.db2.gz MDPRGWOMDSIXEQ-UHFFFAOYSA-N -1 3 242.658 2.182 10 0 BEAEHM CCOC(=O)c1cc2c(cccc2[O-])o1 ZINC000096347134 170292994 /nfs/dbraw/zinc/29/29/94/170292994.db2.gz SPWIULPBTBGHEJ-UHFFFAOYSA-N -1 3 206.197 2.315 10 0 BEAEHM CCOC(=O)c1cc([O-])c2c(N)cccc2c1 ZINC000095937675 170293397 /nfs/dbraw/zinc/29/33/97/170293397.db2.gz RAEHIQMXXISWHY-UHFFFAOYSA-N -1 3 231.251 2.304 10 0 BEAEHM CCOC(=O)Cc1cc(Cl)c(OC)cc1[O-] ZINC000259950926 411582048 /nfs/dbraw/zinc/58/20/48/411582048.db2.gz AHFWSYLJCUOXCS-UHFFFAOYSA-N -1 3 244.674 2.160 10 0 BEAEHM CCc1sc(Nc2ccc(O)cc2)nc1[O-] ZINC000011638038 171154254 /nfs/dbraw/zinc/15/42/54/171154254.db2.gz WKOPBCAECANQIW-VIFPVBQESA-N -1 3 236.296 2.212 10 0 BEAEHM CC[C@H](C)N(C)c1ccc2c(c1)[N-]C(=O)C2=O ZINC000036193262 171309478 /nfs/dbraw/zinc/30/94/78/171309478.db2.gz PUWBQYMZVMLILW-QMMMGPOBSA-N -1 3 232.283 2.056 10 0 BEAEHM CC[C@H](C)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000038066527 171347502 /nfs/dbraw/zinc/34/75/02/171347502.db2.gz QNUCCWIWKRMREI-CPCISQLKSA-N -1 3 243.253 2.479 10 0 BEAEHM CCc1c(C)nc(Cc2ccccc2F)[n-]c1=O ZINC000049671303 171740986 /nfs/dbraw/zinc/74/09/86/171740986.db2.gz IQDGDTDULYTVAT-UHFFFAOYSA-N -1 3 246.285 2.371 10 0 BEAEHM CN(C(=O)c1ccc([O-])cc1)c1ccc(O)cc1 ZINC000020211102 172340204 /nfs/dbraw/zinc/34/02/04/172340204.db2.gz IKWXIIYDUSJPEN-UHFFFAOYSA-N -1 3 243.262 2.374 10 0 BEAEHM CN(Cc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000049626382 172845522 /nfs/dbraw/zinc/84/55/22/172845522.db2.gz NGMZQLKXMQZXCE-RMKNXTFCSA-N -1 3 231.295 2.379 10 0 BEAEHM CNC(=O)c1c([O-])cccc1C(C)(C)C ZINC000095712050 173309106 /nfs/dbraw/zinc/30/91/06/173309106.db2.gz USPZHGBJPUIKNE-UHFFFAOYSA-N -1 3 207.273 2.049 10 0 BEAEHM COc1cc(C(C)=O)c([O-])cc1Br ZINC000082309230 174950183 /nfs/dbraw/zinc/95/01/83/174950183.db2.gz HBINYABZSGLVPI-UHFFFAOYSA-N -1 3 245.072 2.366 10 0 BEAEHM COc1ccc(OC)c(-c2ncccc2[O-])c1 ZINC000065339347 175163764 /nfs/dbraw/zinc/16/37/64/175163764.db2.gz YRRUMPDPRCAHIS-UHFFFAOYSA-N -1 3 231.251 2.471 10 0 BEAEHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2F)O1 ZINC000126795887 176196123 /nfs/dbraw/zinc/19/61/23/176196123.db2.gz NVFSJQKYBCGNPF-HQJQHLMTSA-N -1 3 239.246 2.037 10 0 BEAEHM C[C@H](N)c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000050209562 177022531 /nfs/dbraw/zinc/02/25/31/177022531.db2.gz RIQOBRFVVSKMBP-BQBZGAKWSA-N -1 3 243.690 2.212 10 0 BEAEHM C[C@H](c1cc2cccnc2s1)N([O-])C(N)=O ZINC000013762756 177031484 /nfs/dbraw/zinc/03/14/84/177031484.db2.gz LUNSFLGCWMZYJD-ZCFIWIBFSA-N -1 3 237.284 2.127 10 0 BEAEHM C[C@H](c1ccco1)N1CCC(C(=O)[O-])CC1 ZINC000082249745 177049346 /nfs/dbraw/zinc/04/93/46/177049346.db2.gz SMBWERZZESFWJX-SECBINFHSA-N -1 3 223.272 2.137 10 0 BEAEHM C[C@H]1CCCCN1CC(=O)c1ccc([O-])cc1 ZINC000035036140 177073778 /nfs/dbraw/zinc/07/37/78/177073778.db2.gz RKNXXBKJJKFJBU-NSHDSACASA-N -1 3 233.311 2.449 10 0 BEAEHM C[C@H]1CCCN1CC(=O)c1cc(F)ccc1[O-] ZINC000037911597 177108812 /nfs/dbraw/zinc/10/88/12/177108812.db2.gz NKKXQDFNVKSNEX-VIFPVBQESA-N -1 3 237.274 2.198 10 0 BEAEHM C[C@H]1CCC(C(=O)C(F)(F)F)=C([O-])C1 ZINC000100196948 177180339 /nfs/dbraw/zinc/18/03/39/177180339.db2.gz ULAJSLQTYJJGEJ-NTSWFWBYSA-N -1 3 208.179 2.123 10 0 BEAEHM C[C@H]1C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235579970 177384590 /nfs/dbraw/zinc/38/45/90/177384590.db2.gz PNNKIFOLXMKSNA-QUBYGPBYSA-N -1 3 225.675 2.184 10 0 BEAEHM C[C@@H](N(C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254703 487777268 /nfs/dbraw/zinc/77/72/68/487777268.db2.gz PMKHKBPXUWNRQX-SNVBAGLBSA-N -1 3 248.326 2.400 10 0 BEAEHM C[C@H]1CCN(Cc2ncccc2C(=O)[O-])C[C@H]1C ZINC000385406221 487784969 /nfs/dbraw/zinc/78/49/69/487784969.db2.gz PXGAMZRNNIWTMH-WDEREUQCSA-N -1 3 248.326 2.258 10 0 BEAEHM CCC[C@@H](C)N(C)Cc1ncccc1C(=O)[O-] ZINC000304146146 487872881 /nfs/dbraw/zinc/87/28/81/487872881.db2.gz AFCCTKMMJKKRKO-SNVBAGLBSA-N -1 3 236.315 2.400 10 0 BEAEHM CCc1noc(C)c1[N-]C(=O)c1ccoc1 ZINC000133294949 325284581 /nfs/dbraw/zinc/28/45/81/325284581.db2.gz WREQLVMHJRGBRQ-UHFFFAOYSA-N -1 3 220.228 2.391 10 0 BEAEHM O=C([O-])[C@H](CNCc1ccccc1)C(F)(F)F ZINC000211485092 487970381 /nfs/dbraw/zinc/97/03/81/487970381.db2.gz PNPWGVWBKFMOGZ-VIFPVBQESA-N -1 3 247.216 2.039 10 0 BEAEHM Cc1c(C(=O)[O-])oc2c1[C@@H](N)CC(C)(C)C2 ZINC000057347091 525668293 /nfs/dbraw/zinc/66/82/93/525668293.db2.gz FYWGCTWJISHLAK-ZETCQYMHSA-N -1 3 223.272 2.258 10 0 BEAEHM CCOC(=O)c1nn[n-]c1C1CCCCCC1 ZINC000260692597 582881400 /nfs/dbraw/zinc/88/14/00/582881400.db2.gz KBIMRGGKRCSXFP-UHFFFAOYSA-N -1 3 237.303 2.419 10 0 BEAEHM CCOC(=O)c1[n-]nnc1C1CCCCCC1 ZINC000260692597 582881402 /nfs/dbraw/zinc/88/14/02/582881402.db2.gz KBIMRGGKRCSXFP-UHFFFAOYSA-N -1 3 237.303 2.419 10 0 BEAEHM CCOC(=O)c1n[n-]nc1C1CCCCCC1 ZINC000260692597 582881405 /nfs/dbraw/zinc/88/14/05/582881405.db2.gz KBIMRGGKRCSXFP-UHFFFAOYSA-N -1 3 237.303 2.419 10 0 BEAEHM CC(C(=O)C(F)F)=C([O-])[C@@H]1CC1(C)C ZINC000397584197 583102535 /nfs/dbraw/zinc/10/25/35/583102535.db2.gz IKUFVYIDDLLKJX-WDSKDSINSA-N -1 3 204.216 2.072 10 0 BEAEHM Cc1c2c(c(Cl)cc1Cl)[N-]C(=O)C2=O ZINC000757193010 586435998 /nfs/dbraw/zinc/43/59/98/586435998.db2.gz YDJGRQDEHSMNOZ-UHFFFAOYSA-N -1 3 230.050 2.437 10 0 BEAEHM COc1cccc([O-])c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000706845653 712158380 /nfs/dbraw/zinc/15/83/80/712158380.db2.gz DWBMOVHIZZEWMC-NXEZZACHSA-N -1 3 247.294 2.025 10 0 BEAEHM CSC1CC(NC(=O)c2ccccc2[O-])C1 ZINC000707246886 712167721 /nfs/dbraw/zinc/16/77/21/712167721.db2.gz ORPLBDCFPHKRDC-UHFFFAOYSA-N -1 3 237.324 2.016 10 0 BEAEHM CC(C)(F)CCNCc1ncc(C(=O)[O-])s1 ZINC000698222819 976884136 /nfs/dbraw/zinc/88/41/36/976884136.db2.gz UOJJQDUTYGVSIC-UHFFFAOYSA-N -1 3 246.307 2.069 10 0 BEAEHM Cc1ccc(CN(C)C[C@@H](C)C(=O)[O-])c(F)c1 ZINC000686308001 954609047 /nfs/dbraw/zinc/60/90/47/954609047.db2.gz ARSAEQWZKOCDFL-SNVBAGLBSA-N -1 3 239.290 2.287 10 0 BEAEHM Cc1cc(CNCC[C@H](C)F)oc1C(=O)[O-] ZINC000702564095 977090834 /nfs/dbraw/zinc/09/08/34/977090834.db2.gz NTWJJVPQLNXVBQ-QMMMGPOBSA-N -1 3 229.251 2.124 10 0 BEAEHM Cc1cc(CNCC[C@@H](C)F)oc1C(=O)[O-] ZINC000702564092 977090965 /nfs/dbraw/zinc/09/09/65/977090965.db2.gz NTWJJVPQLNXVBQ-MRVPVSSYSA-N -1 3 229.251 2.124 10 0 BEAEHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C ZINC000706745633 977360754 /nfs/dbraw/zinc/36/07/54/977360754.db2.gz XRPACLRSOQPPJJ-RKDXNWHRSA-N -1 3 237.274 2.364 10 0 BEAEHM Cc1oc(C(=O)[O-])cc1CN(C)CCCF ZINC000714953063 977685694 /nfs/dbraw/zinc/68/56/94/977685694.db2.gz IPTCPEDWDDOKTO-UHFFFAOYSA-N -1 3 229.251 2.078 10 0 BEAEHM Cc1cc(NC(=O)c2cccc(C)c2[O-])on1 ZINC000019837831 178149770 /nfs/dbraw/zinc/14/97/70/178149770.db2.gz QLWLIZYUJKVNKM-UHFFFAOYSA-N -1 3 232.239 2.249 10 0 BEAEHM Cc1cc2c(cc1-c1ccncc1)C(=O)C(=O)[N-]2 ZINC000013733679 178284238 /nfs/dbraw/zinc/28/42/38/178284238.db2.gz PQUQFGBXLRLVNJ-UHFFFAOYSA-N -1 3 238.246 2.192 10 0 BEAEHM Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000042401098 178337770 /nfs/dbraw/zinc/33/77/70/178337770.db2.gz OHMNXVUHKFUNHH-UHFFFAOYSA-N -1 3 226.279 2.234 10 0 BEAEHM COC(=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000082721596 398278827 /nfs/dbraw/zinc/27/88/27/398278827.db2.gz DIMLRARSGJZFQN-UHFFFAOYSA-N -1 3 221.039 2.486 10 0 BEAEHM O=c1[n-]c(-c2cc(F)cc(F)c2)nc2c1CCC2 ZINC000043387597 343061500 /nfs/dbraw/zinc/06/15/00/343061500.db2.gz MZNQTJPUMPZGBC-UHFFFAOYSA-N -1 3 248.232 2.204 10 0 BEAEHM COc1ccc(-c2n[n-]c(C(F)(F)F)n2)cc1 ZINC000072236790 343088871 /nfs/dbraw/zinc/08/88/71/343088871.db2.gz NWZCUURTBYDKPV-UHFFFAOYSA-N -1 3 243.188 2.499 10 0 BEAEHM Fc1cccc(F)c1-c1n[n-]c(=S)o1 ZINC000026514120 343140786 /nfs/dbraw/zinc/14/07/86/343140786.db2.gz PYZAGKISRVVNBB-UHFFFAOYSA-N -1 3 214.196 2.304 10 0 BEAEHM [O-]c1cnc(OCC2CC2)c(Br)c1 ZINC000217045606 343247690 /nfs/dbraw/zinc/24/76/90/343247690.db2.gz LSDRDFKKVOUCSM-UHFFFAOYSA-N -1 3 244.088 2.339 10 0 BEAEHM Cc1oc(C(=O)[O-])cc1CN(C)CC1CC1 ZINC000051361443 343256031 /nfs/dbraw/zinc/25/60/31/343256031.db2.gz MOWIQJDGAKWLIV-UHFFFAOYSA-N -1 3 223.272 2.128 10 0 BEAEHM Cc1cccc(-c2ccc(N)cc2[O-])n1 ZINC000039104946 343384320 /nfs/dbraw/zinc/38/43/20/343384320.db2.gz CZWQLMHRFFCBHT-UHFFFAOYSA-N -1 3 200.241 2.345 10 0 BEAEHM CO[C@@H](C)c1ncc(Br)c(=S)[n-]1 ZINC000234741731 343648459 /nfs/dbraw/zinc/64/84/59/343648459.db2.gz TUYUQCTZVLHCLL-BYPYZUCNSA-N -1 3 249.133 2.235 10 0 BEAEHM O=c1cc(Cc2ccc(F)cc2)[nH]c(=S)[n-]1 ZINC000038953751 343783511 /nfs/dbraw/zinc/78/35/11/343783511.db2.gz 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/nfs/dbraw/zinc/64/51/96/352645196.db2.gz ALVJYLMCQWJLPH-UHFFFAOYSA-N -1 3 226.345 2.128 10 0 BEAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000334339613 352974809 /nfs/dbraw/zinc/97/48/09/352974809.db2.gz MHSBFKCCVVFSGD-CMPLNLGQSA-N -1 3 231.295 2.325 10 0 BEAEHM CSCc1nc(=O)c2ccsc2[n-]1 ZINC000306243388 352998972 /nfs/dbraw/zinc/99/89/72/352998972.db2.gz UIVGAUZZTODXMC-UHFFFAOYSA-N -1 3 212.299 2.260 10 0 BEAEHM N[C@H](C(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000072196506 187960892 /nfs/dbraw/zinc/96/08/92/187960892.db2.gz ZVJYNYOIMPUVIW-ZETCQYMHSA-N -1 3 238.045 2.217 10 0 BEAEHM Nc1c(=O)n(Cc2ccccc2)[n-]c1C1CC1 ZINC000130764134 353365895 /nfs/dbraw/zinc/36/58/95/353365895.db2.gz USQYWQKHEWEXNF-UHFFFAOYSA-N -1 3 229.283 2.097 10 0 BEAEHM Cc1oc2cc(F)c(Cl)cc2c1[O-] ZINC000134373820 355590264 /nfs/dbraw/zinc/59/02/64/355590264.db2.gz QIXCQYWPKWRJNK-BYPYZUCNSA-N -1 3 200.596 2.443 10 0 BEAEHM O=c1cc(Cc2ccccc2F)[nH]c(=S)[n-]1 ZINC000034483340 355840192 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LATSCMMMCAAXOC-UHFFFAOYSA-N -1 3 235.264 2.417 10 0 BEAEHM Cc1nc(N)[n-]c(=O)c1CCC1CCCCC1 ZINC000584634296 358318575 /nfs/dbraw/zinc/31/85/75/358318575.db2.gz WUNUKUYNZRDQDF-UHFFFAOYSA-N -1 3 235.331 2.416 10 0 BEAEHM CC(C)=CC[S@@](=O)c1ccc([O-])cc1 ZINC000584635767 358319910 /nfs/dbraw/zinc/31/99/10/358319910.db2.gz SSNOXSOTDKFDRU-CQSZACIVSA-N -1 3 210.298 2.466 10 0 BEAEHM O=c1c2ccccc2[nH]nc1-c1ccc([O-])cc1 ZINC000584635953 358319941 /nfs/dbraw/zinc/31/99/41/358319941.db2.gz UIPXEGXLSIGWHX-UHFFFAOYSA-N -1 3 238.246 2.296 10 0 BEAEHM CC(C)=CC[S@](=O)c1ccc([O-])cc1 ZINC000584635766 358320166 /nfs/dbraw/zinc/32/01/66/358320166.db2.gz SSNOXSOTDKFDRU-AWEZNQCLSA-N -1 3 210.298 2.466 10 0 BEAEHM CCc1oc(-c2cccc(C)c2)nc1[O-] ZINC000584638267 358323882 /nfs/dbraw/zinc/32/38/82/358323882.db2.gz HPISODQQTXRGRV-JTQLQIEISA-N -1 3 203.241 2.077 10 0 BEAEHM [O-]c1csc(N2CCCCCCCC2)n1 ZINC000306464846 360077918 /nfs/dbraw/zinc/07/79/18/360077918.db2.gz CXCKREMEKILCLK-UHFFFAOYSA-N -1 3 226.345 2.272 10 0 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O=C([O-])c1cccc(CN2CCC23CCCC3)n1 ZINC000707215011 977376569 /nfs/dbraw/zinc/37/65/69/977376569.db2.gz MUOFVUAMMWKKAC-UHFFFAOYSA-N -1 3 246.310 2.298 10 0 BEAEHM O=C([O-])c1cncc(CN2CCCC3(CC3)C2)c1 ZINC000721520928 978115384 /nfs/dbraw/zinc/11/53/84/978115384.db2.gz DRYOORQESAQNKY-UHFFFAOYSA-N -1 3 246.310 2.156 10 0 BEAEHM C[C@@H]1SCCS[C@@H]1c1nc(Cl)n[n-]1 ZINC000228193486 398136548 /nfs/dbraw/zinc/13/65/48/398136548.db2.gz MZNUSAXVEXWBIA-WHFBIAKZSA-N -1 3 235.765 2.368 10 0 BEAEHM C[C@H]1SCCS[C@H]1c1nc(Cl)n[n-]1 ZINC000228193514 398136907 /nfs/dbraw/zinc/13/69/07/398136907.db2.gz MZNUSAXVEXWBIA-RFZPGFLSSA-N -1 3 235.765 2.368 10 0 BEAEHM Cn1nc([C@H]2CCCC2(F)F)[n-]c1=S ZINC000306698875 398176413 /nfs/dbraw/zinc/17/64/13/398176413.db2.gz CXWFJOXDDFEFTA-RXMQYKEDSA-N -1 3 219.260 2.007 10 0 BEAEHM Cc1cc(N(C)C)c2cc(C(=O)[O-])ccc2n1 ZINC000004226471 178093780 /nfs/dbraw/zinc/09/37/80/178093780.db2.gz AXGNVNIHUSBRNX-UHFFFAOYSA-N -1 3 230.267 2.307 10 0 BEAEHM Cc1cc([O-])c(Br)c(C)c1O ZINC000039097895 178194345 /nfs/dbraw/zinc/19/43/45/178194345.db2.gz WQOUHYODKULQOU-UHFFFAOYSA-N -1 3 217.062 2.477 10 0 BEAEHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000336593469 178398851 /nfs/dbraw/zinc/39/88/51/178398851.db2.gz SGZMQXJWBKFQIP-CMPLNLGQSA-N -1 3 231.295 2.325 10 0 BEAEHM Cc1ccc2c(=O)[n-]c(Cl)nc2c1C ZINC000205916778 538957114 /nfs/dbraw/zinc/95/71/14/538957114.db2.gz BWKNNYLSGSXRCC-UHFFFAOYSA-N -1 3 208.648 2.193 10 0 BEAEHM C[C@H](CC1CC1)n1ccc(=O)[n-]c1=S ZINC000069669935 342806168 /nfs/dbraw/zinc/80/61/68/342806168.db2.gz HVQOMHAJGDQOEF-SSDOTTSWSA-N -1 3 210.302 2.267 10 0 BEAEHM O=c1c2ccccc2ncn1-c1ccccc1[O-] ZINC000014684766 342884358 /nfs/dbraw/zinc/88/43/58/342884358.db2.gz KYRMDYHFFNNERA-UHFFFAOYSA-N -1 3 238.246 2.091 10 0 biogenic,in-vitro BEAEHM O=C([O-])[C@H]1CCCC[C@@H]1NCc1ccco1 ZINC000016082824 342905892 /nfs/dbraw/zinc/90/58/92/342905892.db2.gz SWPHLTJACFTRIP-QWRGUYRKSA-N -1 3 223.272 2.013 10 0 BEAEHM Cc1oc(C(=O)[O-])cc1CN(C)CC(C)C ZINC000051361382 343256320 /nfs/dbraw/zinc/25/63/20/343256320.db2.gz MJETWEMPCQQTLX-UHFFFAOYSA-N -1 3 225.288 2.374 10 0 BEAEHM CCN(C(=O)c1cccc(OC)c1[O-])C(C)C ZINC000037082602 343333059 /nfs/dbraw/zinc/33/30/59/343333059.db2.gz NNNUOBFMJOKAAK-UHFFFAOYSA-N -1 3 237.299 2.271 10 0 BEAEHM CCOc1ccc(C=O)c([O-])c1OCC ZINC000207421144 343377982 /nfs/dbraw/zinc/37/79/82/343377982.db2.gz SIGPXSNJIVFVHC-UHFFFAOYSA-N -1 3 210.229 2.002 10 0 BEAEHM O=c1cc(-c2c(F)cccc2Cl)[nH]c(=O)[n-]1 ZINC000309339171 343790860 /nfs/dbraw/zinc/79/08/60/343790860.db2.gz WISOSAPWIDZLOR-UHFFFAOYSA-N -1 3 240.621 2.347 10 0 BEAEHM Cc1cc(C)cc(-c2cc(=O)[n-]cn2)c1 ZINC000235840298 343795266 /nfs/dbraw/zinc/79/52/66/343795266.db2.gz YMEFRMCRFGAEDX-UHFFFAOYSA-N -1 3 200.241 2.054 10 0 BEAEHM O=c1cc(-c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC000236238200 343795690 /nfs/dbraw/zinc/79/56/90/343795690.db2.gz MGXPNEXXCIYROH-UHFFFAOYSA-N -1 3 230.242 2.453 10 0 BEAEHM Cc1nc(Cc2ccc(F)cc2)cc(=O)[n-]1 ZINC000409427787 343801788 /nfs/dbraw/zinc/80/17/88/343801788.db2.gz CIYZQFDBBHLMFG-UHFFFAOYSA-N -1 3 218.231 2.221 10 0 BEAEHM O=c1cc(Cc2ccc(Cl)cc2)nc[n-]1 ZINC000409427774 343801806 /nfs/dbraw/zinc/80/18/06/343801806.db2.gz CHVAXFAQZPJTDZ-UHFFFAOYSA-N -1 3 220.659 2.426 10 0 BEAEHM O=c1cc(Cc2ccsc2)[nH]c(=S)[n-]1 ZINC000409430721 343808590 /nfs/dbraw/zinc/80/85/90/343808590.db2.gz MZYWASCRMFJUKU-UHFFFAOYSA-N -1 3 224.310 2.123 10 0 BEAEHM CN[C@H](C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000234469916 343972030 /nfs/dbraw/zinc/97/20/30/343972030.db2.gz WVBDFMVVQDGIDZ-QMMMGPOBSA-N -1 3 234.082 2.339 10 0 BEAEHM COc1ccccc1[C@H]1CCC(=O)C=C1[O-] ZINC000216581509 344150216 /nfs/dbraw/zinc/15/02/16/344150216.db2.gz JEFUKPFOXFTMDW-SNVBAGLBSA-N -1 3 218.252 2.101 10 0 BEAEHM COc1ccccc1[C@H]1CCC([O-])=CC1=O ZINC000216581509 344150217 /nfs/dbraw/zinc/15/02/17/344150217.db2.gz JEFUKPFOXFTMDW-SNVBAGLBSA-N -1 3 218.252 2.101 10 0 BEAEHM Cc1ccc(-c2cc(=O)[n-]cn2)cc1C ZINC000235881807 344266370 /nfs/dbraw/zinc/26/63/70/344266370.db2.gz FXJOHZFFWKZVPY-UHFFFAOYSA-N -1 3 200.241 2.054 10 0 BEAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000042351174 344451538 /nfs/dbraw/zinc/45/15/38/344451538.db2.gz DENRBDSHZYOHGY-MNOVXSKESA-N -1 3 231.295 2.325 10 0 BEAEHM COc1ccc(C)c([O-])c1Br ZINC000215480662 344677042 /nfs/dbraw/zinc/67/70/42/344677042.db2.gz JQCKAANGRJRNHN-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM C/C(=C\C(=O)[O-])CN(C)Cc1ccc(F)cc1 ZINC000104270388 187291953 /nfs/dbraw/zinc/29/19/53/187291953.db2.gz QCSSKEXACMPZIE-JXMROGBWSA-N -1 3 237.274 2.288 10 0 BEAEHM Cc1c(Cc2ccccc2)nc[n-]c1=O ZINC000166466712 344903335 /nfs/dbraw/zinc/90/33/35/344903335.db2.gz OGGFVJRFOQZEKI-UHFFFAOYSA-N -1 3 200.241 2.081 10 0 BEAEHM Cc1cc2[n-]ncc(=O)c2cc1Br ZINC000667366224 537875302 /nfs/dbraw/zinc/87/53/02/537875302.db2.gz BSLSQVLTGPFELR-UHFFFAOYSA-N -1 3 239.072 2.406 10 0 BEAEHM COC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000044200192 344946296 /nfs/dbraw/zinc/94/62/96/344946296.db2.gz HVPVTYIUIGTKJM-UHFFFAOYSA-N -1 3 220.146 2.198 10 0 BEAEHM CCCc1cc(CCC)c([O-])c(C(N)=O)c1 ZINC000033648572 345806800 /nfs/dbraw/zinc/80/68/00/345806800.db2.gz ZAPRGMHJWBOSQR-UHFFFAOYSA-N -1 3 221.300 2.396 10 0 BEAEHM Cc1cc(O[C@@H]2CCCCO2)cc([O-])c1C=O ZINC000034506755 345829939 /nfs/dbraw/zinc/82/99/39/345829939.db2.gz QMVFMMLKLLRERJ-CYBMUJFWSA-N -1 3 236.267 2.419 10 0 BEAEHM CCOc1ccccc1-c1cc(=O)[n-]c(=S)[nH]1 ZINC000088832246 345945107 /nfs/dbraw/zinc/94/51/07/345945107.db2.gz GXCGJSWAAZNCPS-UHFFFAOYSA-N -1 3 248.307 2.498 10 0 BEAEHM Cc1oc(=S)[n-]c1-c1ccc(F)cn1 ZINC000235850570 345947553 /nfs/dbraw/zinc/94/75/53/345947553.db2.gz WEEAPAUZFULIDT-UHFFFAOYSA-N -1 3 210.233 2.473 10 0 BEAEHM Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1[O-] ZINC000336319546 179012801 /nfs/dbraw/zinc/01/28/01/179012801.db2.gz AOKVRMWCIUZWFI-JQWIXIFHSA-N -1 3 231.295 2.325 10 0 BEAEHM CC(C)(C)c1csc(-c2cn[n-]n2)n1 ZINC000164704360 346618344 /nfs/dbraw/zinc/61/83/44/346618344.db2.gz QXVDZFUYNGKNLI-UHFFFAOYSA-N -1 3 208.290 2.226 10 0 BEAEHM Cc1cc(Cc2cccnc2)cc(C=O)c1[O-] ZINC000039619829 347192607 /nfs/dbraw/zinc/19/26/07/347192607.db2.gz DSYVJYSKSZWSQP-UHFFFAOYSA-N -1 3 227.263 2.499 10 0 BEAEHM Cc1cccc2c1ncc(C(=O)[O-])c2N(C)C ZINC000032500238 179210497 /nfs/dbraw/zinc/21/04/97/179210497.db2.gz VYJAAMOLKKZABS-UHFFFAOYSA-N -1 3 230.267 2.307 10 0 BEAEHM Cc1nc2cc(C)c(C(C)C)c([O-])n2n1 ZINC000725242973 537989532 /nfs/dbraw/zinc/98/95/32/537989532.db2.gz CYIMUNHBXSIOAU-UHFFFAOYSA-N -1 3 205.261 2.175 10 0 BEAEHM NC(=S)c1cc(C(F)(F)F)ccc1[O-] ZINC000036949560 347979059 /nfs/dbraw/zinc/97/90/59/347979059.db2.gz JWDBIODPINSNFH-UHFFFAOYSA-N -1 3 221.203 2.045 10 0 BEAEHM Cc1cccnc1-c1c(N)cccc1[O-] ZINC000095922574 179356929 /nfs/dbraw/zinc/35/69/29/179356929.db2.gz FMPILXPHINYEOO-UHFFFAOYSA-N -1 3 200.241 2.345 10 0 BEAEHM Nc1cccc(-c2n[n-]c(C(F)(F)F)n2)c1 ZINC000072236800 350231822 /nfs/dbraw/zinc/23/18/22/350231822.db2.gz UVOIGZHJDCBVGJ-UHFFFAOYSA-N -1 3 228.177 2.073 10 0 BEAEHM CCOC(=O)c1nn[n-]c1[C@H]1CCCC12CC2 ZINC000725266584 538095470 /nfs/dbraw/zinc/09/54/70/538095470.db2.gz RLYYEQDVEVZJRE-MRVPVSSYSA-N -1 3 235.287 2.029 10 0 BEAEHM CCOC(=O)c1[n-]nnc1[C@H]1CCCC12CC2 ZINC000725266584 538095472 /nfs/dbraw/zinc/09/54/72/538095472.db2.gz RLYYEQDVEVZJRE-MRVPVSSYSA-N -1 3 235.287 2.029 10 0 BEAEHM CCOC(=O)c1n[n-]nc1[C@H]1CCCC12CC2 ZINC000725266584 538095473 /nfs/dbraw/zinc/09/54/73/538095473.db2.gz RLYYEQDVEVZJRE-MRVPVSSYSA-N -1 3 235.287 2.029 10 0 BEAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1CC12CC2 ZINC000725266395 538096033 /nfs/dbraw/zinc/09/60/33/538096033.db2.gz UDVPXBUXBHKZJG-SSDOTTSWSA-N -1 3 235.287 2.028 10 0 BEAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@H]1CC12CC2 ZINC000725266395 538096037 /nfs/dbraw/zinc/09/60/37/538096037.db2.gz UDVPXBUXBHKZJG-SSDOTTSWSA-N -1 3 235.287 2.028 10 0 BEAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@H]1CC12CC2 ZINC000725266395 538096039 /nfs/dbraw/zinc/09/60/39/538096039.db2.gz UDVPXBUXBHKZJG-SSDOTTSWSA-N -1 3 235.287 2.028 10 0 BEAEHM Cc1nc(-c2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC000235950141 350727379 /nfs/dbraw/zinc/72/73/79/350727379.db2.gz FRHJVRJHEQGICN-UHFFFAOYSA-N -1 3 222.194 2.024 10 0 BEAEHM CCN1CCOCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616599213 350737710 /nfs/dbraw/zinc/73/77/10/350737710.db2.gz QFYGBOQXAIIRGP-CYBMUJFWSA-N -1 3 249.310 2.168 10 0 BEAEHM COC(C)(C)c1nc2ccc(N)cc2cc1[O-] ZINC000725267747 538099235 /nfs/dbraw/zinc/09/92/35/538099235.db2.gz VOHQPYQSIMCWJW-UHFFFAOYSA-N -1 3 232.283 2.404 10 0 BEAEHM C[C@H]1CS[C@H](c2cc([O-])cc(F)c2)N1 ZINC000159776486 350999850 /nfs/dbraw/zinc/99/98/50/350999850.db2.gz XRPFUPPGALWBFA-QUBYGPBYSA-N -1 3 213.277 2.255 10 0 BEAEHM Cc1sccc1[C@H](C(=O)[O-])N1CCCC1 ZINC000306810392 351063922 /nfs/dbraw/zinc/06/39/22/351063922.db2.gz UIXMMLNVKLPWCF-SNVBAGLBSA-N -1 3 225.313 2.278 10 0 BEAEHM Cc1cccc([O-])c1N[S@](=O)C(C)C ZINC000306810852 351078832 /nfs/dbraw/zinc/07/88/32/351078832.db2.gz VJWZYJUCKCBPAW-CQSZACIVSA-N -1 3 213.302 2.185 10 0 BEAEHM CCN1CCCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616650175 351173689 /nfs/dbraw/zinc/17/36/89/351173689.db2.gz VXRTWNMDKIFDTA-ZDUSSCGKSA-N -1 3 249.310 2.168 10 0 BEAEHM Cc1nsc([N-][C@@H](C)C(F)(F)F)n1 ZINC000307139369 351495114 /nfs/dbraw/zinc/49/51/14/351495114.db2.gz BTFPIASJDWDTBE-VKHMYHEASA-N -1 3 211.212 2.209 10 0 BEAEHM C[C@H]1CN(c2nc([O-])cs2)C[C@H](C)S1 ZINC000307281804 351844346 /nfs/dbraw/zinc/84/43/46/351844346.db2.gz KEOPSLQAPYZAAK-BQBZGAKWSA-N -1 3 230.358 2.179 10 0 BEAEHM NCc1ccc(-c2cccc([O-])c2F)nc1F ZINC000725270428 538102004 /nfs/dbraw/zinc/10/20/04/538102004.db2.gz KTVWETJRJRSABD-UHFFFAOYSA-N -1 3 236.221 2.191 10 0 BEAEHM C[C@H]1C[C@H](C(=O)c2cnn[n-]2)C[C@@H](C)C1 ZINC000252123163 363129815 /nfs/dbraw/zinc/12/98/15/363129815.db2.gz LBLNBINUHOLNIQ-BRPSZJMVSA-N -1 3 207.277 2.060 10 0 BEAEHM C[C@H]1C[C@H](C(=O)c2c[n-]nn2)C[C@@H](C)C1 ZINC000252123163 363129823 /nfs/dbraw/zinc/12/98/23/363129823.db2.gz LBLNBINUHOLNIQ-BRPSZJMVSA-N -1 3 207.277 2.060 10 0 BEAEHM C[C@H]1C[C@H](C(=O)c2cn[n-]n2)C[C@@H](C)C1 ZINC000252123163 363129828 /nfs/dbraw/zinc/12/98/28/363129828.db2.gz LBLNBINUHOLNIQ-BRPSZJMVSA-N -1 3 207.277 2.060 10 0 BEAEHM CC1(C)CCCN(c2nc([O-])cs2)C1 ZINC000307539298 352643595 /nfs/dbraw/zinc/64/35/95/352643595.db2.gz UFPGPQRKQSYHNI-UHFFFAOYSA-N -1 3 212.318 2.475 10 0 BEAEHM O=c1[n-]c(-c2cccc(F)c2)nc2c1CCC2 ZINC000042401174 188257194 /nfs/dbraw/zinc/25/71/94/188257194.db2.gz YBRRBELUXHFAGR-UHFFFAOYSA-N -1 3 230.242 2.065 10 0 BEAEHM CC1(C)C=Cc2cc([O-])c(C=O)cc2O1 ZINC000075604186 188290125 /nfs/dbraw/zinc/29/01/25/188290125.db2.gz MUOOROCNPQUEBG-UHFFFAOYSA-N -1 3 204.225 2.389 10 0 BEAEHM CC(C)Cc1[nH]nc2c1nc(CC(C)C)[n-]c2=O ZINC000089212089 188317528 /nfs/dbraw/zinc/31/75/28/188317528.db2.gz GUBDRGCVQHTGJD-UHFFFAOYSA-N -1 3 248.330 2.043 10 0 BEAEHM CCNCc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000675051192 538474007 /nfs/dbraw/zinc/47/40/07/538474007.db2.gz CZKXCRIYDQCTNR-UHFFFAOYSA-N -1 3 237.177 2.106 10 0 BEAEHM CNCc1occ(C2CCCC2)c1C(=O)[O-] ZINC000675051224 538474062 /nfs/dbraw/zinc/47/40/62/538474062.db2.gz FKIKWPHPDLRZTD-UHFFFAOYSA-N -1 3 223.272 2.355 10 0 BEAEHM Cc1cc2c(cc1F)nc(Cl)[n-]c2=O ZINC000129356354 538574388 /nfs/dbraw/zinc/57/43/88/538574388.db2.gz QGPKUIPJYIIAKM-UHFFFAOYSA-N -1 3 212.611 2.436 10 0 BEAEHM CCc1noc(C)c1[N-]C(=O)c1ccco1 ZINC000132897849 325252044 /nfs/dbraw/zinc/25/20/44/325252044.db2.gz KUPHYOMCVGUMGZ-UHFFFAOYSA-N -1 3 220.228 2.391 10 0 BEAEHM C/C=C/c1cc([O-])ccc1C(=O)N(C)C ZINC000584609645 358271074 /nfs/dbraw/zinc/27/10/74/358271074.db2.gz MMXIYLRUEGTIRY-SNAWJCMRSA-N -1 3 205.257 2.127 10 0 BEAEHM [O-]c1csc(SC2CCCC2)n1 ZINC000306490217 360198818 /nfs/dbraw/zinc/19/88/18/360198818.db2.gz YJENRZLXDYHQHY-UHFFFAOYSA-N -1 3 201.316 2.292 10 0 BEAEHM C[C@@H]1C[C@@H](n2ccc(=O)[n-]c2=S)CS1 ZINC000306565621 360443507 /nfs/dbraw/zinc/44/35/07/360443507.db2.gz FOMCUEZNVCMFLX-RNFRBKRXSA-N -1 3 228.342 2.385 10 0 BEAEHM O=c1cc(OCc2ccc(Cl)cc2)nc[n-]1 ZINC000223389014 368365145 /nfs/dbraw/zinc/36/51/45/368365145.db2.gz YCOVMWVLSUBVQL-UHFFFAOYSA-N -1 3 236.658 2.002 10 0 BEAEHM O=C(NNc1ccccc1)c1ccc([O-])cc1 ZINC000005484248 369026084 /nfs/dbraw/zinc/02/60/84/369026084.db2.gz XVKFIRVXTZLMEO-UHFFFAOYSA-N -1 3 228.251 2.149 10 0 BEAEHM Cc1cc(Br)c([O-])cc1C=O ZINC000215752782 371625237 /nfs/dbraw/zinc/62/52/37/371625237.db2.gz CGIBZTLGZJTGRV-UHFFFAOYSA-N -1 3 215.046 2.276 10 0 BEAEHM COc1ccc2c(c1)cc(=O)[n-]c2Cl ZINC000059202422 372149396 /nfs/dbraw/zinc/14/93/96/372149396.db2.gz SAFXBUQQGYMWAJ-UHFFFAOYSA-N -1 3 209.632 2.190 10 0 BEAEHM O=C(Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000039473421 182069779 /nfs/dbraw/zinc/06/97/79/182069779.db2.gz VUWYVQBBCPSRHQ-UHFFFAOYSA-N -1 3 236.658 2.125 10 0 BEAEHM Cc1cc(Br)c([O-])cc1O ZINC000142907024 374114534 /nfs/dbraw/zinc/11/45/34/374114534.db2.gz BBORPPIIXOVCGX-UHFFFAOYSA-N -1 3 203.035 2.169 10 0 BEAEHM O=c1ccc2c(-c3ccncc3)ccc([O-])c2[nH]1 ZINC000026486341 183000831 /nfs/dbraw/zinc/00/08/31/183000831.db2.gz MJHLTADFWPJCQN-UHFFFAOYSA-N -1 3 238.246 2.296 10 0 BEAEHM O=c1nc2oc(-c3ccccc3)cc2c[n-]1 ZINC000090661835 183011935 /nfs/dbraw/zinc/01/19/35/183011935.db2.gz GWZJLWYOVBDCMJ-UHFFFAOYSA-N -1 3 212.208 2.183 10 0 BEAEHM CCCN(C)c1nc(C)cc(C)c1C(=O)[O-] ZINC000038010210 169090576 /nfs/dbraw/zinc/09/05/76/169090576.db2.gz MRJLVBKFPGJODO-UHFFFAOYSA-N -1 3 222.288 2.243 10 0 BEAEHM [O-]c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000045894265 183264795 /nfs/dbraw/zinc/26/47/95/183264795.db2.gz GTDUQCCPBKFXPT-UHFFFAOYSA-N -1 3 202.213 2.320 10 0 BEAEHM [O-]c1ccc(C2OCCO2)cc1Br ZINC000044229344 183268766 /nfs/dbraw/zinc/26/87/66/183268766.db2.gz WWWAJAPPWHAJOK-UHFFFAOYSA-N -1 3 245.072 2.200 10 0 BEAEHM [O-]c1cc2c(cc1Br)OCC2 ZINC000034288011 183260358 /nfs/dbraw/zinc/26/03/58/183260358.db2.gz VSIXVCKSNOWMCY-UHFFFAOYSA-N -1 3 215.046 2.090 10 0 BEAEHM [O-]c1cnc(C2CC2)c(OC(F)F)c1 ZINC000097758501 183305507 /nfs/dbraw/zinc/30/55/07/183305507.db2.gz DVHMUXMKZHLTKC-UHFFFAOYSA-N -1 3 201.172 2.266 10 0 BEAEHM [O-]c1ccccc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000111686945 183300806 /nfs/dbraw/zinc/30/08/06/183300806.db2.gz PCZIMWGWVHFLJD-VIFPVBQESA-N -1 3 246.266 2.164 10 0 BEAEHM c1nnc([N-]Cc2scnc2C2CC2)o1 ZINC000308973472 183551648 /nfs/dbraw/zinc/55/16/48/183551648.db2.gz FWTUYEPEAMPDHC-UHFFFAOYSA-N -1 3 222.273 2.016 10 0 BEAEHM CC(C)(C)OC(=O)Nc1ccc(N)cc1[O-] ZINC000089194934 383942187 /nfs/dbraw/zinc/94/21/87/383942187.db2.gz XEZANUIBRBFOCA-UHFFFAOYSA-N -1 3 224.260 2.321 10 0 BEAEHM Cc1ccc(CNCc2nc(C)ccc2[O-])cn1 ZINC000112716661 383945029 /nfs/dbraw/zinc/94/50/29/383945029.db2.gz IAZMDVBCGLRCJV-UHFFFAOYSA-N -1 3 243.310 2.089 10 0 BEAEHM S=c1[n-]cnc2n[nH]c(-c3ccccc3)c21 ZINC000089222742 383950134 /nfs/dbraw/zinc/95/01/34/383950134.db2.gz NYEFJRBFFABMIT-UHFFFAOYSA-N -1 3 228.280 2.309 10 0 BEAEHM CCOc1ccc(OCC)c(C#N)c1[O-] ZINC000575650491 384040636 /nfs/dbraw/zinc/04/06/36/384040636.db2.gz OMLXABSENYCRJD-UHFFFAOYSA-N -1 3 207.229 2.061 10 0 BEAEHM CCCCNc1nc(C(C)C)cc(=O)[n-]1 ZINC000041601261 384194345 /nfs/dbraw/zinc/19/43/45/384194345.db2.gz YLIHNEIYNRAUKR-UHFFFAOYSA-N -1 3 209.293 2.105 10 0 BEAEHM Cc1ccc([C@@H](C)[N-]C(=O)C(F)F)o1 ZINC000235210054 384258308 /nfs/dbraw/zinc/25/83/08/384258308.db2.gz JBWKTLXFOYVPRZ-ZCFIWIBFSA-N -1 3 203.188 2.030 10 0 BEAEHM CCOC(=O)Cc1c([O-])cc(OC)cc1Cl ZINC000575700361 384739605 /nfs/dbraw/zinc/73/96/05/384739605.db2.gz INIDASQSSZAYQI-UHFFFAOYSA-N -1 3 244.674 2.160 10 0 BEAEHM COc1cc(N)c(C(F)(F)F)c([O-])c1 ZINC000575728464 384918131 /nfs/dbraw/zinc/91/81/31/384918131.db2.gz PTRBDQUDBILQPQ-UHFFFAOYSA-N -1 3 207.151 2.002 10 0 BEAEHM Cc1cc(C(=O)Nc2ccc(=O)[nH]c2)ccc1[O-] ZINC000311131418 385331793 /nfs/dbraw/zinc/33/17/93/385331793.db2.gz JJUXQHSNMWNTMU-UHFFFAOYSA-N -1 3 244.250 2.054 10 0 BEAEHM CC(C)CCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197891 385608597 /nfs/dbraw/zinc/60/85/97/385608597.db2.gz KGHPLOGGUZRMIJ-SNVBAGLBSA-N -1 3 238.335 2.083 10 0 BEAEHM COc1cccc(C(=O)N2C[C@@H]3CCC[C@H]32)c1[O-] ZINC000334435856 386058198 /nfs/dbraw/zinc/05/81/98/386058198.db2.gz ZPKHGJLEIBZAPG-GXSJLCMTSA-N -1 3 247.294 2.025 10 0 BEAEHM S=c1[n-]c([C@@H]2CCCSCC2)n[nH]1 ZINC000575576261 387021941 /nfs/dbraw/zinc/02/19/41/387021941.db2.gz JFVVDCNNRVFARH-ZCFIWIBFSA-N -1 3 215.347 2.094 10 0 BEAEHM COc1ccc(C(F)(F)F)c(OC)c1[O-] ZINC000575671822 387341586 /nfs/dbraw/zinc/34/15/86/387341586.db2.gz OPZHTOXHSWJBSQ-UHFFFAOYSA-N -1 3 222.162 2.428 10 0 BEAEHM COC(=O)c1c([O-])cc(F)cc1C(F)(F)F ZINC000575714708 387428399 /nfs/dbraw/zinc/42/83/99/387428399.db2.gz WUMAADVUVXBYRQ-UHFFFAOYSA-N -1 3 238.136 2.337 10 0 BEAEHM Nc1ccc([O-])c(Br)c1Cl ZINC000575719479 387436313 /nfs/dbraw/zinc/43/63/13/387436313.db2.gz DFPMXCAVEZMELH-UHFFFAOYSA-N -1 3 222.469 2.390 10 0 BEAEHM CCOC(=O)c1c([O-])cc(Cl)cc1F ZINC000575701363 387405805 /nfs/dbraw/zinc/40/58/05/387405805.db2.gz WYQDKWPELFHVLR-UHFFFAOYSA-N -1 3 218.611 2.361 10 0 BEAEHM COC(=O)Cc1c(C)ccc([O-])c1Cl ZINC000575712030 387415053 /nfs/dbraw/zinc/41/50/53/387415053.db2.gz ALTWVBYLDWQFBV-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM COc1cc(N)cc([O-])c1C(F)(F)F ZINC000575729094 387470198 /nfs/dbraw/zinc/47/01/98/387470198.db2.gz VOLQJMMGGWXHRT-UHFFFAOYSA-N -1 3 207.151 2.002 10 0 BEAEHM N=c1[n-]oc([C@H]2CC23CC3)c1Br ZINC000575537655 387580153 /nfs/dbraw/zinc/58/01/53/387580153.db2.gz HOLZJRIMQRYCMH-SCSAIBSYSA-N -1 3 229.077 2.117 10 0 BEAEHM CCOC(=O)c1cc2c(Cl)[n-]c(C)nc-2n1 ZINC000575624048 387816239 /nfs/dbraw/zinc/81/62/39/387816239.db2.gz LGFDFGGPUUSCJE-UHFFFAOYSA-N -1 3 239.662 2.096 10 0 BEAEHM CCOC(=O)c1cc2c(Cl)nc(C)[n-]c-2n1 ZINC000575624048 387816243 /nfs/dbraw/zinc/81/62/43/387816243.db2.gz LGFDFGGPUUSCJE-UHFFFAOYSA-N -1 3 239.662 2.096 10 0 BEAEHM CCOC(=O)c1cc2c([n-]1)nc(C)nc2Cl ZINC000575624048 387816247 /nfs/dbraw/zinc/81/62/47/387816247.db2.gz LGFDFGGPUUSCJE-UHFFFAOYSA-N -1 3 239.662 2.096 10 0 BEAEHM [O-]c1cc(CO)cc(OC(F)F)c1C(F)F ZINC000575652883 387893342 /nfs/dbraw/zinc/89/33/42/387893342.db2.gz XCKBZCOPGALKJG-UHFFFAOYSA-N -1 3 240.152 2.424 10 0 BEAEHM O=Cc1cc(-c2cncc([O-])c2)cs1 ZINC000065339041 388258164 /nfs/dbraw/zinc/25/81/64/388258164.db2.gz XJTQGWFAEARQOA-UHFFFAOYSA-N -1 3 205.238 2.328 10 0 BEAEHM O=Cc1ccc(-c2ccc([O-])cn2)s1 ZINC000065355723 388258485 /nfs/dbraw/zinc/25/84/85/388258485.db2.gz WBRSVGRQUROHFG-UHFFFAOYSA-N -1 3 205.238 2.328 10 0 BEAEHM CC(C)[C@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000220252936 134301704 /nfs/dbraw/zinc/30/17/04/134301704.db2.gz PSYZHONCVZHJIO-JTQLQIEISA-N -1 3 249.310 2.216 10 0 BEAEHM Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1[O-] ZINC000226714088 134370969 /nfs/dbraw/zinc/37/09/69/134370969.db2.gz ZMXKKILKBQFLJR-JTQLQIEISA-N -1 3 221.300 2.475 10 0 BEAEHM CC(C)CN[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000037965465 167013638 /nfs/dbraw/zinc/01/36/38/167013638.db2.gz YCHZGYJUKXMKOL-NSHDSACASA-N -1 3 243.253 2.336 10 0 BEAEHM CC(C)N[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000037183189 167129227 /nfs/dbraw/zinc/12/92/27/167129227.db2.gz MBXFLKBGHRWIII-SNVBAGLBSA-N -1 3 229.226 2.089 10 0 BEAEHM CC(C)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000037101848 167145806 /nfs/dbraw/zinc/14/58/06/167145806.db2.gz ZAXLIOWWRBTVLG-UHFFFAOYSA-N -1 3 246.307 2.018 10 0 BEAEHM CC[C@H]1CCCN(Cc2ncccc2C(=O)[O-])C1 ZINC000305933271 411428413 /nfs/dbraw/zinc/42/84/13/411428413.db2.gz KGAVQKOKVPFFPX-NSHDSACASA-N -1 3 248.326 2.402 10 0 BEAEHM C[C@@H]1CCCN(Cc2ncccc2C(=O)[O-])[C@H]1C ZINC000305993301 411430372 /nfs/dbraw/zinc/43/03/72/411430372.db2.gz TZVCCMCPPFOTGN-MNOVXSKESA-N -1 3 248.326 2.400 10 0 BEAEHM CCNc1nc2[n-]ncc2c(=S)s1 ZINC000034408974 170177227 /nfs/dbraw/zinc/17/72/27/170177227.db2.gz UBZNGSQPJUTNAU-UHFFFAOYSA-N -1 3 212.303 2.181 10 0 BEAEHM CCNc1nc2n[n-]cc2c(=S)s1 ZINC000034408974 170177228 /nfs/dbraw/zinc/17/72/28/170177228.db2.gz UBZNGSQPJUTNAU-UHFFFAOYSA-N -1 3 212.303 2.181 10 0 BEAEHM CNC(=S)n1c(=S)[n-]c2ccccc21 ZINC000026330574 173317892 /nfs/dbraw/zinc/31/78/92/173317892.db2.gz DGVORAIGIDADAD-UHFFFAOYSA-N -1 3 223.326 2.051 10 0 BEAEHM COc1cc2c(cc1[O-])OC(C)(C)CC2=O ZINC000013459405 175023720 /nfs/dbraw/zinc/02/37/20/175023720.db2.gz VWPDGYAHZLEFCQ-UHFFFAOYSA-N -1 3 222.240 2.145 10 0 BEAEHM COc1cc2oc(C)cc(=O)c2c([O-])c1C ZINC000013484895 175029389 /nfs/dbraw/zinc/02/93/89/175029389.db2.gz RGTSAUBIQAKKLC-UHFFFAOYSA-N -1 3 220.224 2.124 10 0 endogenous,in-man BEAEHM COc1cc2oc(C)cc([O-])c-2c(=O)c1C ZINC000013484895 175029391 /nfs/dbraw/zinc/02/93/91/175029391.db2.gz RGTSAUBIQAKKLC-UHFFFAOYSA-N -1 3 220.224 2.124 10 0 endogenous,in-man BEAEHM COc1ccc(Br)c([O-])c1C ZINC000034128585 175051556 /nfs/dbraw/zinc/05/15/56/175051556.db2.gz JFUGCYORRHETOR-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM COc1c2ccc(OC)cc2oc1C(=O)[O-] ZINC000034122979 175206057 /nfs/dbraw/zinc/20/60/57/175206057.db2.gz HMBXGLIOMQRTIZ-UHFFFAOYSA-N -1 3 222.196 2.148 10 0 BEAEHM C[C@H]1CCCN(Cc2cccnc2C(=O)[O-])C1 ZINC000062750309 177102182 /nfs/dbraw/zinc/10/21/82/177102182.db2.gz YSNJRUUAVTVVSU-JTQLQIEISA-N -1 3 234.299 2.012 10 0 BEAEHM C[C@H]1CCC[C@H](c2nc3c(c(=O)[n-]2)CCCN3)C1 ZINC000104381782 177139202 /nfs/dbraw/zinc/13/92/02/177139202.db2.gz YDTINCSAYLXQJS-UWVGGRQHSA-N -1 3 247.342 2.422 10 0 BEAEHM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2F)O1 ZINC000126796133 177181720 /nfs/dbraw/zinc/18/17/20/177181720.db2.gz NVFSJQKYBCGNPF-CPCISQLKSA-N -1 3 239.246 2.037 10 0 BEAEHM C[C@H]1CN(Cc2ncccc2C(=O)[O-])CC[C@@H]1C ZINC000385406220 487785222 /nfs/dbraw/zinc/78/52/22/487785222.db2.gz PXGAMZRNNIWTMH-QWRGUYRKSA-N -1 3 248.326 2.258 10 0 BEAEHM CSCCC(=O)Nc1cccc([O-])c1F ZINC000129000154 324905519 /nfs/dbraw/zinc/90/55/19/324905519.db2.gz NBNGNDIAAKBYLA-UHFFFAOYSA-N -1 3 229.276 2.223 10 0 BEAEHM C[C@H](C(=O)Nc1ccccc1[O-])C1CCOCC1 ZINC000129268872 324933031 /nfs/dbraw/zinc/93/30/31/324933031.db2.gz JQRDQFLSIALPRH-JTQLQIEISA-N -1 3 249.310 2.393 10 0 BEAEHM Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c([O-])c1 ZINC000130637346 325075732 /nfs/dbraw/zinc/07/57/32/325075732.db2.gz WLUNDRUAEFBOJG-JOYOIKCWSA-N -1 3 235.283 2.207 10 0 BEAEHM FC(F)(F)c1nnc(-c2ccco2)[n-]1 ZINC000072236789 527690887 /nfs/dbraw/zinc/69/08/87/527690887.db2.gz ANICTIVQXCTYBA-UHFFFAOYSA-N -1 3 203.123 2.084 10 0 BEAEHM FC(F)(F)c1n[n-]c(-c2ccco2)n1 ZINC000072236789 527690890 /nfs/dbraw/zinc/69/08/90/527690890.db2.gz ANICTIVQXCTYBA-UHFFFAOYSA-N -1 3 203.123 2.084 10 0 BEAEHM CC(C(=O)[C@H]1CC1(C)C)=C([O-])C(F)(F)F ZINC000397625098 583103419 /nfs/dbraw/zinc/10/34/19/583103419.db2.gz SZQSDSCIXPSHQN-NTSWFWBYSA-N -1 3 222.206 2.369 10 0 BEAEHM CC(C(=O)C(F)(F)F)=C([O-])[C@H]1CC1(C)C ZINC000397625098 583103420 /nfs/dbraw/zinc/10/34/20/583103420.db2.gz SZQSDSCIXPSHQN-NTSWFWBYSA-N -1 3 222.206 2.369 10 0 BEAEHM Cc1occc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000320943984 643998351 /nfs/dbraw/zinc/99/83/51/643998351.db2.gz CWCWYIMTIOXDDD-LBPRGKRZSA-N -1 3 223.272 2.027 10 0 BEAEHM COc1cccc([O-])c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706845668 712158416 /nfs/dbraw/zinc/15/84/16/712158416.db2.gz DWBMOVHIZZEWMC-ZJUUUORDSA-N -1 3 247.294 2.025 10 0 BEAEHM CC[C@H](C)CCNCc1ncc(C(=O)[O-])s1 ZINC000696259879 976809784 /nfs/dbraw/zinc/80/97/84/976809784.db2.gz VWDPQVAVIZDCBC-QMMMGPOBSA-N -1 3 242.344 2.367 10 0 BEAEHM C[C@H](F)CCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000702643171 977099278 /nfs/dbraw/zinc/09/92/78/977099278.db2.gz HVMQDDDJSDMMEU-BQBZGAKWSA-N -1 3 246.307 2.240 10 0 BEAEHM CCN(CCC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703865877 977207279 /nfs/dbraw/zinc/20/72/79/977207279.db2.gz AMLXGOGBRUXTJM-UHFFFAOYSA-N -1 3 242.706 2.032 10 0 BEAEHM CC[C@@](C)(NCc1ncccc1Cl)C(=O)[O-] ZINC000703894783 977208685 /nfs/dbraw/zinc/20/86/85/977208685.db2.gz LBCRNIYDBIJLAD-LLVKDONJSA-N -1 3 242.706 2.078 10 0 BEAEHM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])[C@@H]1C ZINC000706744913 977360635 /nfs/dbraw/zinc/36/06/35/977360635.db2.gz UOBZVYHGLDLNCQ-GHMZBOCLSA-N -1 3 249.310 2.104 10 0 BEAEHM O=C([O-])c1occc1CN1C[C@H]2CCCC[C@H]21 ZINC000706933291 977368967 /nfs/dbraw/zinc/36/89/67/977368967.db2.gz BTNWLUHTJIRTJG-MWLCHTKSSA-N -1 3 235.283 2.352 10 0 BEAEHM O=C([O-])c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1F ZINC000707021593 977373458 /nfs/dbraw/zinc/37/34/58/977373458.db2.gz WTNGBNMVZVNRLH-SKDRFNHKSA-N -1 3 235.258 2.118 10 0 BEAEHM O=C([O-])c1cncc(CN2CC3CCC2CC3)c1 ZINC000721538832 978117115 /nfs/dbraw/zinc/11/71/15/978117115.db2.gz FJFGDUGWYUKPKV-UHFFFAOYSA-N -1 3 246.310 2.154 10 0 BEAEHM C[C@H]1SCCS[C@@H]1c1nc(Cl)n[n-]1 ZINC000228193497 398136880 /nfs/dbraw/zinc/13/68/80/398136880.db2.gz MZNUSAXVEXWBIA-UHNVWZDZSA-N -1 3 235.765 2.368 10 0 BEAEHM Cc1cc(N(C)C)c2ccc(C(=O)[O-])cc2n1 ZINC000004226503 178095094 /nfs/dbraw/zinc/09/50/94/178095094.db2.gz XPPXBDKBBWPNEH-UHFFFAOYSA-N -1 3 230.267 2.307 10 0 BEAEHM Cc1cc([O-])c(Br)c(O)c1 ZINC000013524990 178193815 /nfs/dbraw/zinc/19/38/15/178193815.db2.gz XLPKBJXZQQPGDQ-UHFFFAOYSA-N -1 3 203.035 2.169 10 0 BEAEHM O=C([O-])[C@H]1CCCC[C@H]1NCc1ccco1 ZINC000016082825 342906097 /nfs/dbraw/zinc/90/60/97/342906097.db2.gz SWPHLTJACFTRIP-WDEREUQCSA-N -1 3 223.272 2.013 10 0 BEAEHM Cc1oc2c(cccc2Br)c1[O-] ZINC000043633175 343631867 /nfs/dbraw/zinc/63/18/67/343631867.db2.gz NDPBHHSUJKWFOK-YFKPBYRVSA-N -1 3 227.057 2.413 10 0 BEAEHM COCc1cc(=O)[n-]c(-c2ccc(C)cc2C)n1 ZINC000051700216 187271131 /nfs/dbraw/zinc/27/11/31/187271131.db2.gz NJBKAHJYYHSWET-UHFFFAOYSA-N -1 3 244.294 2.200 10 0 BEAEHM CC(C(=O)C1CCC1)=C([O-])C(F)(F)F ZINC000323918261 537813628 /nfs/dbraw/zinc/81/36/28/537813628.db2.gz ZKOGSLMLDYQATG-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CC(C(=O)C(F)(F)F)=C([O-])C1CCC1 ZINC000323918261 537813631 /nfs/dbraw/zinc/81/36/31/537813631.db2.gz ZKOGSLMLDYQATG-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CN1C[C@H](C(=O)[O-])C[C@@H]1c1cccc(Cl)c1 ZINC000212890900 343791923 /nfs/dbraw/zinc/79/19/23/343791923.db2.gz WKLWDSQICCQFGI-MWLCHTKSSA-N -1 3 239.702 2.417 10 0 BEAEHM Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000625735175 344061020 /nfs/dbraw/zinc/06/10/20/344061020.db2.gz VOGMVGPKODQXAM-GHMZBOCLSA-N -1 3 231.295 2.325 10 0 BEAEHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000625735178 344061238 /nfs/dbraw/zinc/06/12/38/344061238.db2.gz VOGMVGPKODQXAM-WDEREUQCSA-N -1 3 231.295 2.325 10 0 BEAEHM [O-]c1cc(Cl)cc(Br)c1CO ZINC000216993651 344419118 /nfs/dbraw/zinc/41/91/18/344419118.db2.gz ASMIAOSLHHVLHM-UHFFFAOYSA-N -1 3 237.480 2.300 10 0 BEAEHM CCOC(=O)c1c(CC)ccc([O-])c1C#N ZINC000396136693 344613456 /nfs/dbraw/zinc/61/34/56/344613456.db2.gz MDWHKLTTYQIWRF-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM [O-]C(=Cc1nccs1)c1ccncc1F ZINC000135816415 344898675 /nfs/dbraw/zinc/89/86/75/344898675.db2.gz HAXGDIIBAPUQPV-UHFFFAOYSA-N -1 3 222.244 2.103 10 0 BEAEHM CCc1cc(=O)[n-]c(CN[C@H](C)C(C)(C)C)n1 ZINC000120888231 344903876 /nfs/dbraw/zinc/90/38/76/344903876.db2.gz GOEPGFIAIBRATA-SECBINFHSA-N -1 3 237.347 2.269 10 0 BEAEHM [O-]C(=Cc1cncs1)c1ccc(F)cn1 ZINC000166730056 344975217 /nfs/dbraw/zinc/97/52/17/344975217.db2.gz SEPOICFAPCNBPD-UHFFFAOYSA-N -1 3 222.244 2.103 10 0 BEAEHM O=C(NCc1ccccc1)c1cc(O)ccc1[O-] ZINC000224745008 344985808 /nfs/dbraw/zinc/98/58/08/344985808.db2.gz IPHYEANULIQJIU-UHFFFAOYSA-N -1 3 243.262 2.028 10 0 BEAEHM Cc1ccc(-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000408494440 345377653 /nfs/dbraw/zinc/37/76/53/345377653.db2.gz 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10 0 BEAEHM O=c1[n-]sc2c1c(F)c(F)cc2F ZINC000725254135 538042785 /nfs/dbraw/zinc/04/27/85/538042785.db2.gz LYXAOLXGVOLAAC-UHFFFAOYSA-N -1 3 205.160 2.419 10 0 BEAEHM COc1ccc2s[n-]c(=O)c2c1OC ZINC000725254202 538044098 /nfs/dbraw/zinc/04/40/98/538044098.db2.gz SWNSNSHXZHZKDU-UHFFFAOYSA-N -1 3 211.242 2.019 10 0 BEAEHM Nc1ccc(-c2n[n-]c(C(F)(F)F)n2)cc1 ZINC000072236815 350191549 /nfs/dbraw/zinc/19/15/49/350191549.db2.gz SUFSGDSBJGIRHD-UHFFFAOYSA-N -1 3 228.177 2.073 10 0 BEAEHM CCC(C)(C)c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266316 538094984 /nfs/dbraw/zinc/09/49/84/538094984.db2.gz HAUSUTWSVINDJC-UHFFFAOYSA-N -1 3 239.319 2.448 10 0 BEAEHM CCC(C)(C)c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266316 538094988 /nfs/dbraw/zinc/09/49/88/538094988.db2.gz HAUSUTWSVINDJC-UHFFFAOYSA-N -1 3 239.319 2.448 10 0 BEAEHM CCC(C)(C)c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266316 538094991 /nfs/dbraw/zinc/09/49/91/538094991.db2.gz HAUSUTWSVINDJC-UHFFFAOYSA-N -1 3 239.319 2.448 10 0 BEAEHM 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2.272 10 0 BEAEHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000625735177 344061215 /nfs/dbraw/zinc/06/12/15/344061215.db2.gz VOGMVGPKODQXAM-QWRGUYRKSA-N -1 3 231.295 2.325 10 0 BEAEHM CCCN[C@H](c1ocnc1C(=O)[O-])C(C)C ZINC000616569958 344172097 /nfs/dbraw/zinc/17/20/97/344172097.db2.gz ZBSRXDULIGOUKA-QMMMGPOBSA-N -1 3 226.276 2.070 10 0 BEAEHM CCOC(=O)c1ccc(CC)c([O-])c1C#N ZINC000396134736 344612535 /nfs/dbraw/zinc/61/25/35/344612535.db2.gz FBSJQGOOAKXVFO-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM CCOC(=O)c1cc(CC)cc(C#N)c1[O-] ZINC000396134839 344612868 /nfs/dbraw/zinc/61/28/68/344612868.db2.gz GDRXHIWNEOUCJN-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM Cn1nc(-c2sccc2Cl)[n-]c1=S ZINC000127807684 344657003 /nfs/dbraw/zinc/65/70/03/344657003.db2.gz IXFBKLAUPUDTIS-UHFFFAOYSA-N -1 3 231.733 2.486 10 0 BEAEHM N[C@H](CF)c1ccc([O-])c(Br)c1 ZINC000238685056 345109413 /nfs/dbraw/zinc/10/94/13/345109413.db2.gz OFRAKNLIUVABPQ-SSDOTTSWSA-N -1 3 234.068 2.124 10 0 BEAEHM COc1cc([O-])c2c(=O)cc(C)oc2c1C ZINC000013484901 187307693 /nfs/dbraw/zinc/30/76/93/187307693.db2.gz DFAAYQHTFVTATL-UHFFFAOYSA-N -1 3 220.224 2.124 10 0 endogenous,in-man BEAEHM COc1cc(=O)c2c([O-])cc(C)oc-2c1C ZINC000013484901 187307695 /nfs/dbraw/zinc/30/76/95/187307695.db2.gz DFAAYQHTFVTATL-UHFFFAOYSA-N -1 3 220.224 2.124 10 0 endogenous,in-man BEAEHM CC(=O)C1(c2cc([O-])cc(F)c2)CCOCC1 ZINC000137541848 345848052 /nfs/dbraw/zinc/84/80/52/345848052.db2.gz YEATUYGBRMGLAA-UHFFFAOYSA-N -1 3 238.258 2.169 10 0 BEAEHM O=c1nc[n-]c2sc(Cc3ccccc3)nc21 ZINC000143818087 345866812 /nfs/dbraw/zinc/86/68/12/345866812.db2.gz UIJXBRXMQLYCOX-UHFFFAOYSA-N -1 3 243.291 2.383 10 0 BEAEHM Cc1ccncc1-c1cn[n-]c(=S)c1 ZINC000235777202 345867353 /nfs/dbraw/zinc/86/73/53/345867353.db2.gz OIIJKGPUENBHCJ-UHFFFAOYSA-N -1 3 203.270 2.136 10 0 BEAEHM Cc1cc(=S)[n-]c(CC(F)(F)F)n1 ZINC000235791656 345904938 /nfs/dbraw/zinc/90/49/38/345904938.db2.gz LDYMGHWHUZUEIG-UHFFFAOYSA-N -1 3 208.208 2.179 10 0 BEAEHM Cc1cc(C)cc(-c2cc(=O)[n-]c(=S)[nH]2)c1 ZINC000148686205 346039496 /nfs/dbraw/zinc/03/94/96/346039496.db2.gz LYEPZJCQFFDKNA-UHFFFAOYSA-N -1 3 232.308 2.342 10 0 BEAEHM Cc1noc(-c2cc([O-])ccc2Cl)n1 ZINC000235968903 346175931 /nfs/dbraw/zinc/17/59/31/346175931.db2.gz CSBMIOMNCWLGFY-UHFFFAOYSA-N -1 3 210.620 2.404 10 0 BEAEHM O=c1[nH][n-]c2c1c(Cl)ccc2Cl ZINC000236047889 346186692 /nfs/dbraw/zinc/18/66/92/346186692.db2.gz FROFYTIUKUKEON-UHFFFAOYSA-N -1 3 203.028 2.163 10 0 BEAEHM CCc1nc2cc(C)c(C(C)C)c([O-])n2n1 ZINC000725242988 537989997 /nfs/dbraw/zinc/98/99/97/537989997.db2.gz DXDBXCQITQNDMV-UHFFFAOYSA-N -1 3 219.288 2.429 10 0 BEAEHM CC(C)(C)c1ccc([O-])c(N2CCOCC2=O)c1 ZINC000725244115 537996285 /nfs/dbraw/zinc/99/62/85/537996285.db2.gz IBRDLKAMFOSYKT-UHFFFAOYSA-N -1 3 249.310 2.053 10 0 BEAEHM CCOC(=O)CSCc1ccc(F)c([O-])c1 ZINC000098203798 191061924 /nfs/dbraw/zinc/06/19/24/191061924.db2.gz XXBYWGIKKNKFLU-UHFFFAOYSA-N -1 3 244.287 2.328 10 0 BEAEHM CC(C)N([O-])C(=O)OCc1ccccc1 ZINC000098181471 191061232 /nfs/dbraw/zinc/06/12/32/191061232.db2.gz MUFJZECCPUBLQN-UHFFFAOYSA-N -1 3 209.245 2.423 10 0 BEAEHM Cc1ncnc(Nc2ccccc2)c1[O-] ZINC000075601896 180290980 /nfs/dbraw/zinc/29/09/80/180290980.db2.gz AOFVPPAZQIPHAK-UHFFFAOYSA-N -1 3 201.229 2.234 10 0 BEAEHM CCC[C@H]1C[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000227616686 350504199 /nfs/dbraw/zinc/50/41/99/350504199.db2.gz WXCZMVVQMIBRCA-KWQFWETISA-N -1 3 235.283 2.016 10 0 BEAEHM C[C@@H]1SCCS[C@H]1c1nc(Cl)n[n-]1 ZINC000228193506 350532816 /nfs/dbraw/zinc/53/28/16/350532816.db2.gz MZNUSAXVEXWBIA-CRCLSJGQSA-N -1 3 235.765 2.368 10 0 BEAEHM CC(C)(C)OC(=O)c1nn[n-]c1-c1ccco1 ZINC000725266549 538095496 /nfs/dbraw/zinc/09/54/96/538095496.db2.gz MXIGKLXIQSEFMA-UHFFFAOYSA-N -1 3 235.243 2.020 10 0 BEAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1ccco1 ZINC000725266549 538095498 /nfs/dbraw/zinc/09/54/98/538095498.db2.gz MXIGKLXIQSEFMA-UHFFFAOYSA-N -1 3 235.243 2.020 10 0 BEAEHM CC1(C)CCC(=C([O-])C(F)(F)F)C1=O ZINC000125055541 538097687 /nfs/dbraw/zinc/09/76/87/538097687.db2.gz SODSHKKWTDYZSA-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CC1(C)CCC(C(=O)C(F)(F)F)=C1[O-] ZINC000125055541 538097690 /nfs/dbraw/zinc/09/76/90/538097690.db2.gz SODSHKKWTDYZSA-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CCN1CCOCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616598391 350665565 /nfs/dbraw/zinc/66/55/65/350665565.db2.gz QFYGBOQXAIIRGP-ZDUSSCGKSA-N -1 3 249.310 2.168 10 0 BEAEHM CCc1nc(C)[n-]c(=S)c1Br ZINC000234120487 350691183 /nfs/dbraw/zinc/69/11/83/350691183.db2.gz QBDUJNAHOOBFOX-UHFFFAOYSA-N -1 3 233.134 2.399 10 0 BEAEHM COC(=O)c1ccc2ccsc2c1[O-] ZINC000168301640 351367305 /nfs/dbraw/zinc/36/73/05/351367305.db2.gz DIGWATPWWNTOND-UHFFFAOYSA-N -1 3 208.238 2.394 10 0 BEAEHM Cc1cccc(C([O-])=Cc2csnn2)c1 ZINC000307175019 351566205 /nfs/dbraw/zinc/56/62/05/351566205.db2.gz VEFJTDBOULIRMQ-UHFFFAOYSA-N -1 3 218.281 2.272 10 0 BEAEHM O=C1[N-]C(=O)c2cc(NC3CCCCC3)ccc21 ZINC000019966511 188282090 /nfs/dbraw/zinc/28/20/90/188282090.db2.gz TUVATDKGRAZRRI-UHFFFAOYSA-N -1 3 244.294 2.315 10 0 BEAEHM Cc1csc(CNCc2nc(C)ccc2[O-])n1 ZINC000112716513 188364034 /nfs/dbraw/zinc/36/40/34/188364034.db2.gz SYZMPCRVFZRTJH-UHFFFAOYSA-N -1 3 249.339 2.150 10 0 BEAEHM CN(C)Cc1c2ncccc2sc1C(=O)[O-] ZINC000238854948 188369412 /nfs/dbraw/zinc/36/94/12/188369412.db2.gz PTXWXLKRNAPQRE-UHFFFAOYSA-N -1 3 236.296 2.056 10 0 BEAEHM O=c1[n-]c(-c2ccccc2)nc2c1CCCC2 ZINC000016855231 353695920 /nfs/dbraw/zinc/69/59/20/353695920.db2.gz UICMJIZPQLNBRS-UHFFFAOYSA-N -1 3 226.279 2.316 10 0 BEAEHM CCOC(=O)c1ccc(CC)c(C#N)c1[O-] ZINC000396139704 356456314 /nfs/dbraw/zinc/45/63/14/356456314.db2.gz VQWDABNFEWUVTR-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM Cc1cc(F)cc2c(=O)[n-]c(Cl)nc12 ZINC000129328240 538574129 /nfs/dbraw/zinc/57/41/29/538574129.db2.gz RSTZLOUQWXAVHJ-UHFFFAOYSA-N -1 3 212.611 2.436 10 0 BEAEHM CCOC(=O)c1cc2c(F)cccc2c(=O)[n-]1 ZINC000259964423 538833439 /nfs/dbraw/zinc/83/34/39/538833439.db2.gz CVRCIDKHKKGITG-UHFFFAOYSA-N -1 3 235.214 2.256 10 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COc1cc(-c2ccc(=S)[n-]n2)sn1 ZINC000306533382 360394942 /nfs/dbraw/zinc/39/49/42/360394942.db2.gz HQEGRAVBTHYGIG-UHFFFAOYSA-N -1 3 225.298 2.271 10 0 BEAEHM C[C@H]1C[C@H](n2ccc(=O)[n-]c2=S)CS1 ZINC000306565619 360444177 /nfs/dbraw/zinc/44/41/77/360444177.db2.gz FOMCUEZNVCMFLX-BQBZGAKWSA-N -1 3 228.342 2.385 10 0 BEAEHM O=c1cc([C@H]2C[C@@H]2c2ccccc2)[n-][nH]1 ZINC000238700815 361180641 /nfs/dbraw/zinc/18/06/41/361180641.db2.gz RBZJEPPZUOQABD-ZJUUUORDSA-N -1 3 200.241 2.386 10 0 BEAEHM CCCc1cc([O-])cc(O)c1C(=O)OCC ZINC000015115363 364178507 /nfs/dbraw/zinc/17/85/07/364178507.db2.gz HCWSSRCTMYFELV-UHFFFAOYSA-N -1 3 224.256 2.227 10 0 BEAEHM Cc1ccc(F)c2nc(Cl)[n-]c(=O)c12 ZINC000129366993 541412580 /nfs/dbraw/zinc/41/25/80/541412580.db2.gz OTTDVUIBYFMSSC-UHFFFAOYSA-N -1 3 212.611 2.436 10 0 BEAEHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000183051195 366971053 /nfs/dbraw/zinc/97/10/53/366971053.db2.gz IDZDCYZHUHOOIG-KOLCDFICSA-N -1 3 235.283 2.207 10 0 BEAEHM Nc1nc(-c2cccc(F)c2)nc(Cl)c1[O-] ZINC000117182568 370880617 /nfs/dbraw/zinc/88/06/17/370880617.db2.gz RNFJALLDQOKANN-UHFFFAOYSA-N -1 3 239.637 2.224 10 0 BEAEHM COC(=O)C(=C[O-])c1cccc(C(F)(F)F)c1 ZINC000116071109 369019313 /nfs/dbraw/zinc/01/93/13/369019313.db2.gz UAVIRBQKHOZBIG-SECBINFHSA-N -1 3 246.184 2.161 10 0 BEAEHM Cc1cc(N)cc([O-])c1Br ZINC000215097362 369048293 /nfs/dbraw/zinc/04/82/93/369048293.db2.gz CNWFEQCREXWFGL-UHFFFAOYSA-N -1 3 202.051 2.045 10 0 BEAEHM O=C([N-]c1cnoc1)c1cccc(F)c1F ZINC000061559014 369761552 /nfs/dbraw/zinc/76/15/52/369761552.db2.gz VBJRCHLTQOVOKK-UHFFFAOYSA-N -1 3 224.166 2.205 10 0 BEAEHM N[C@@H](CC(=O)[O-])c1cc2ccccc2s1 ZINC000002511674 371565966 /nfs/dbraw/zinc/56/59/66/371565966.db2.gz SFXQAYKEBIXYFO-QMMMGPOBSA-N -1 3 221.281 2.376 10 0 BEAEHM O=c1ccnc(-c2cccc(Cl)c2)[n-]1 ZINC000034108559 183005049 /nfs/dbraw/zinc/00/50/49/183005049.db2.gz HLVWCXURJXWXMZ-UHFFFAOYSA-N -1 3 206.632 2.090 10 0 BEAEHM O=c1[nH]c(=S)[n-]nc1-c1ccc(F)cc1 ZINC000026443557 183252986 /nfs/dbraw/zinc/25/29/86/183252986.db2.gz UHTUFZASMFUGCN-UHFFFAOYSA-N -1 3 223.232 2.046 10 0 BEAEHM [O-]c1cc2c(cc1Br)CCO2 ZINC000082370642 183260618 /nfs/dbraw/zinc/26/06/18/183260618.db2.gz NQYVSXRSJLREPM-UHFFFAOYSA-N -1 3 215.046 2.090 10 0 BEAEHM O=c1[n-]ncc(OC2CCCC2)c1Cl ZINC000091366063 183310171 /nfs/dbraw/zinc/31/01/71/183310171.db2.gz ICBOUXNPXYWMCJ-UHFFFAOYSA-N -1 3 214.652 2.157 10 0 BEAEHM CCCOc1ccccc1CN[C@H](C)C(=O)[O-] ZINC000041689476 169326841 /nfs/dbraw/zinc/32/68/41/169326841.db2.gz ZNGQAHFMKOBPSG-SNVBAGLBSA-N -1 3 237.299 2.038 10 0 BEAEHM CCCc1cc(=O)[n-]c(-c2ccc(OC)cc2)n1 ZINC000037409015 169561811 /nfs/dbraw/zinc/56/18/11/169561811.db2.gz WYHIPCOMLWTJAG-UHFFFAOYSA-N -1 3 244.294 2.398 10 0 BEAEHM O=C(c1cn[n-]c1C(F)(F)F)C(F)(F)F ZINC000087493555 383848960 /nfs/dbraw/zinc/84/89/60/383848960.db2.gz PCLLMNFRDBCHJX-UHFFFAOYSA-N -1 3 232.083 2.174 10 0 BEAEHM O=C(c1c[n-]nc1C(F)(F)F)C(F)(F)F ZINC000087493555 383848965 /nfs/dbraw/zinc/84/89/65/383848965.db2.gz PCLLMNFRDBCHJX-UHFFFAOYSA-N -1 3 232.083 2.174 10 0 BEAEHM Cc1nc2cccc(Cl)c2c(N)c1C(=O)[O-] ZINC000396177757 383906420 /nfs/dbraw/zinc/90/64/20/383906420.db2.gz OCMUAYLVUSWMFO-UHFFFAOYSA-N -1 3 236.658 2.307 10 0 BEAEHM O=Cc1ccc(OC(F)(F)F)c([O-])c1 ZINC000044830755 384361911 /nfs/dbraw/zinc/36/19/11/384361911.db2.gz GUJKNDILDUPKTA-UHFFFAOYSA-N -1 3 206.119 2.103 10 0 BEAEHM Cc1ccnc(-c2c(N)cccc2[O-])c1 ZINC000095922577 384409684 /nfs/dbraw/zinc/40/96/84/384409684.db2.gz OBNMSIMLTCPTHI-UHFFFAOYSA-N -1 3 200.241 2.345 10 0 BEAEHM COc1cc([O-])c(OC(F)F)cc1C(C)=O ZINC000575662956 384420254 /nfs/dbraw/zinc/42/02/54/384420254.db2.gz LVWDUFXZYIOSHY-UHFFFAOYSA-N -1 3 232.182 2.205 10 0 BEAEHM Nc1cccc(C(=O)Nc2ccccc2)c1[O-] ZINC000134756614 384387072 /nfs/dbraw/zinc/38/70/72/384387072.db2.gz PTGSDRFHFSNCIP-UHFFFAOYSA-N -1 3 228.251 2.227 10 0 BEAEHM COc1cc(C)c(Br)c([O-])c1 ZINC000036449004 384476206 /nfs/dbraw/zinc/47/62/06/384476206.db2.gz XPSZYQHWXXJDRE-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM CCOc1ccc(-c2nc[n-]c(=O)c2C)cc1 ZINC000079067318 384482998 /nfs/dbraw/zinc/48/29/98/384482998.db2.gz BQYFYUJIDXEMOR-UHFFFAOYSA-N -1 3 230.267 2.144 10 0 BEAEHM CCOC(=O)c1cc(N)c(C(F)(F)F)c([O-])c1 ZINC000575724605 384907596 /nfs/dbraw/zinc/90/75/96/384907596.db2.gz LMRUQOFZUGIDQH-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM CCOC(=O)c1n[n-]c2c(C)ccc(C)c2c1=O ZINC000575601297 385267438 /nfs/dbraw/zinc/26/74/38/385267438.db2.gz XBGPDJAAXKDBQJ-UHFFFAOYSA-N -1 3 246.266 2.129 10 0 BEAEHM CC[C@H]1CCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000131537146 385342589 /nfs/dbraw/zinc/34/25/89/385342589.db2.gz QJNRLYWLDNDBJR-JTQLQIEISA-N -1 3 249.310 2.273 10 0 BEAEHM COc1ccccc1Cc1cc(=O)[n-]c(C)n1 ZINC000409430933 385328321 /nfs/dbraw/zinc/32/83/21/385328321.db2.gz OGLXKNNNKVYHKX-UHFFFAOYSA-N -1 3 230.267 2.090 10 0 BEAEHM CCOC(=O)c1cc([O-])c(Cl)cc1OC ZINC000261265800 386016964 /nfs/dbraw/zinc/01/69/64/386016964.db2.gz HMFPVHULWDBIOS-UHFFFAOYSA-N -1 3 230.647 2.231 10 0 BEAEHM COc1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1[O-] ZINC000334435860 386057871 /nfs/dbraw/zinc/05/78/71/386057871.db2.gz ZPKHGJLEIBZAPG-MWLCHTKSSA-N -1 3 247.294 2.025 10 0 BEAEHM CC1(C)C[C@]1(C)c1o[n-]c(=N)c1Cl ZINC000575581929 386241353 /nfs/dbraw/zinc/24/13/53/386241353.db2.gz ALTKQGVXQODLGW-SECBINFHSA-N -1 3 200.669 2.428 10 0 BEAEHM C[C@H](CF)N=c1[n-]c(Br)cs1 ZINC000575580397 387050292 /nfs/dbraw/zinc/05/02/92/387050292.db2.gz RXJUQRKYIQEZCI-SCSAIBSYSA-N -1 3 239.113 2.097 10 0 BEAEHM Cc1cc([O-])c(C=O)cc1OC(F)F ZINC000575662800 387192084 /nfs/dbraw/zinc/19/20/84/387192084.db2.gz IZSGUGZOIKBMEM-UHFFFAOYSA-N -1 3 202.156 2.115 10 0 BEAEHM COC(=O)c1cc(C(F)(F)F)cc(F)c1[O-] ZINC000575714649 387428678 /nfs/dbraw/zinc/42/86/78/387428678.db2.gz SVTBWVLHDQSZAG-UHFFFAOYSA-N -1 3 238.136 2.337 10 0 BEAEHM CCc1cc(=O)[n-]c(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000121610695 387387306 /nfs/dbraw/zinc/38/73/06/387387306.db2.gz KJGXGCKBCDDXTL-MNOVXSKESA-N -1 3 249.358 2.365 10 0 BEAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000121610847 387388036 /nfs/dbraw/zinc/38/80/36/387388036.db2.gz KJGXGCKBCDDXTL-QWRGUYRKSA-N -1 3 249.358 2.365 10 0 BEAEHM CSc1c(F)ccc(C(C)=O)c1[O-] ZINC000575704477 387402162 /nfs/dbraw/zinc/40/21/62/387402162.db2.gz WHCSWMGRMSUZAE-UHFFFAOYSA-N -1 3 200.234 2.456 10 0 BEAEHM COC(=O)c1cc(F)cc(C(F)(F)F)c1[O-] ZINC000575713601 387416829 /nfs/dbraw/zinc/41/68/29/387416829.db2.gz FUOZMGOUJNALFI-UHFFFAOYSA-N -1 3 238.136 2.337 10 0 BEAEHM O=Cc1cccc(-c2cccc(C=O)c2[O-])c1[O-] ZINC000038327801 387464011 /nfs/dbraw/zinc/46/40/11/387464011.db2.gz NEHGPDMEZCHDIZ-UHFFFAOYSA-N -1 3 242.230 2.390 10 0 BEAEHM O=Cc1cccc(-c2cccc(C=O)c2O)c1[O-] ZINC000038327801 387464014 /nfs/dbraw/zinc/46/40/14/387464014.db2.gz NEHGPDMEZCHDIZ-UHFFFAOYSA-N -1 3 242.230 2.390 10 0 BEAEHM CCOC(=O)c1ccc([O-])c(N)c1C(F)(F)F ZINC000575726066 387464131 /nfs/dbraw/zinc/46/41/31/387464131.db2.gz YPCIHOLUVFSDAT-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM [O-]c1c(CO)ccc(OC(F)F)c1C(F)F ZINC000575652153 387900503 /nfs/dbraw/zinc/90/05/03/387900503.db2.gz KQZRSJLGHYYHND-UHFFFAOYSA-N -1 3 240.152 2.424 10 0 BEAEHM CCCCNc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342943 388460181 /nfs/dbraw/zinc/46/01/81/388460181.db2.gz XSBTUQQVKXBCCM-UHFFFAOYSA-N -1 3 235.209 2.001 10 0 BEAEHM CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-] ZINC000231694929 388841890 /nfs/dbraw/zinc/84/18/90/388841890.db2.gz SKXWCQOPFHIKRZ-MWLCHTKSSA-N -1 3 219.284 2.311 10 0 BEAEHM CC(C)[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000220252870 134301883 /nfs/dbraw/zinc/30/18/83/134301883.db2.gz PSYZHONCVZHJIO-SNVBAGLBSA-N -1 3 249.310 2.216 10 0 BEAEHM Cc1cnc([C@@H](C)NC(=O)c2ccccc2[O-])o1 ZINC000226617007 134367924 /nfs/dbraw/zinc/36/79/24/134367924.db2.gz GENUJCJVXNZGHQ-SECBINFHSA-N -1 3 246.266 2.180 10 0 BEAEHM CCc1ccc(-c2ncc(C(C)=O)[n-]2)o1 ZINC000307134298 397986447 /nfs/dbraw/zinc/98/64/47/397986447.db2.gz NZNLOAYLJKLZCT-UHFFFAOYSA-N -1 3 204.229 2.435 10 0 BEAEHM CCc1ccc(-c2nc(C(C)=O)c[n-]2)o1 ZINC000307134298 397986449 /nfs/dbraw/zinc/98/64/49/397986449.db2.gz NZNLOAYLJKLZCT-UHFFFAOYSA-N -1 3 204.229 2.435 10 0 BEAEHM CCOC(=O)c1cc(N)cc([O-])c1C(F)(F)F ZINC000575725762 398068826 /nfs/dbraw/zinc/06/88/26/398068826.db2.gz VLMQUSXQRPZDBG-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM CCN(C)c1noc(-c2cccc(C)c2[O-])n1 ZINC000228227634 487600577 /nfs/dbraw/zinc/60/05/77/487600577.db2.gz UYYJICRQKDYZKV-UHFFFAOYSA-N -1 3 233.271 2.207 10 0 BEAEHM C[C@@H]1CCN(Cc2ncccc2C(=O)[O-])[C@H](C)C1 ZINC000305904382 487604392 /nfs/dbraw/zinc/60/43/92/487604392.db2.gz CFJBOXTZLZSSLT-GHMZBOCLSA-N -1 3 248.326 2.400 10 0 BEAEHM CN(CCC1CC1)Cc1ncccc1C(=O)[O-] ZINC000310341475 411234496 /nfs/dbraw/zinc/23/44/96/411234496.db2.gz OCFAYHOGLFKTEM-UHFFFAOYSA-N -1 3 234.299 2.012 10 0 BEAEHM CCOC(=O)c1c([O-])ccc(C(C)=O)c1C ZINC000039110405 170288693 /nfs/dbraw/zinc/28/86/93/170288693.db2.gz HBBBHSJDEDRTMV-UHFFFAOYSA-N -1 3 222.240 2.080 10 0 BEAEHM CN(C)C(=O)c1c([O-])cccc1CC1CC1 ZINC000095711665 172387273 /nfs/dbraw/zinc/38/72/73/172387273.db2.gz ALSWTZXYZRREAK-UHFFFAOYSA-N -1 3 219.284 2.047 10 0 BEAEHM COc1ccc(-c2nc(C)[n-]c(=O)c2C)cc1 ZINC000079067286 175039047 /nfs/dbraw/zinc/03/90/47/175039047.db2.gz AJAAGLXLIQZWOG-UHFFFAOYSA-N -1 3 230.267 2.062 10 0 BEAEHM COc1cccc(C(=O)N(C)C[C@@H]2C[C@@H]2C)c1[O-] ZINC000104422364 175242006 /nfs/dbraw/zinc/24/20/06/175242006.db2.gz UWOGMVOSVQRJGQ-UWVGGRQHSA-N -1 3 249.310 2.129 10 0 BEAEHM COc1cccc(C(=O)NC2(C)CCC2)c1[O-] ZINC000124654931 175244493 /nfs/dbraw/zinc/24/44/93/175244493.db2.gz SALYWBZGDHHKJG-UHFFFAOYSA-N -1 3 235.283 2.073 10 0 BEAEHM COc1cccc2cc(C=O)cc([O-])c21 ZINC000013335459 175306416 /nfs/dbraw/zinc/30/64/16/175306416.db2.gz OMMHMZUAQUNDME-UHFFFAOYSA-N -1 3 202.209 2.367 10 0 BEAEHM C[C@@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 ZINC000100137916 176061591 /nfs/dbraw/zinc/06/15/91/176061591.db2.gz LRZQEIYNXWNUGL-PHDIDXHHSA-N -1 3 208.179 2.123 10 0 BEAEHM C[C@@H]1CCCN(Cc2ncccc2C(=O)[O-])C1 ZINC000062182890 176101730 /nfs/dbraw/zinc/10/17/30/176101730.db2.gz RSDUOPSSOFBCBW-SNVBAGLBSA-N -1 3 234.299 2.012 10 0 BEAEHM C[C@@H]1CCCC(C(=O)C(F)(F)F)=C1[O-] ZINC000100137911 176112988 /nfs/dbraw/zinc/11/29/88/176112988.db2.gz WDJMNYHBUNCQKM-PHDIDXHHSA-N -1 3 208.179 2.123 10 0 BEAEHM CCN(Cc1ncccc1C(=O)[O-])CC1CC1 ZINC000304147412 487873706 /nfs/dbraw/zinc/87/37/06/487873706.db2.gz AYAPJNSHZLTACF-UHFFFAOYSA-N -1 3 234.299 2.012 10 0 BEAEHM CCc1cc(C)c(C(=O)[N-]c2nncs2)o1 ZINC000134719336 323025344 /nfs/dbraw/zinc/02/53/44/323025344.db2.gz NSDDENWFPOTPHG-UHFFFAOYSA-N -1 3 237.284 2.254 10 0 BEAEHM Cc1ccc(NCc2nc(C)ccc2[O-])cn1 ZINC000128084793 324805338 /nfs/dbraw/zinc/80/53/38/324805338.db2.gz VUHWADYSDKKYMF-UHFFFAOYSA-N -1 3 229.283 2.411 10 0 BEAEHM CCC(C(=O)C1CC1)=C([O-])C(F)(F)F ZINC000308530490 566298653 /nfs/dbraw/zinc/29/86/53/566298653.db2.gz JZUVDXPHSCFLPJ-ZCFIWIBFSA-N -1 3 208.179 2.123 10 0 BEAEHM CCC(C(=O)C(F)(F)F)=C([O-])C1CC1 ZINC000308530490 566298660 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384483387 /nfs/dbraw/zinc/48/33/87/384483387.db2.gz OQPUZLKNJHTUER-UHFFFAOYSA-N -1 3 220.659 2.399 10 0 BEAEHM COc1ccc([O-])c(/C=C(/C)[N+](=O)[O-])c1 ZINC000083312574 384757968 /nfs/dbraw/zinc/75/79/68/384757968.db2.gz BQEJQPOSCPXSJC-ALCCZGGFSA-N -1 3 209.201 2.038 10 0 BEAEHM CCN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163670494 384843202 /nfs/dbraw/zinc/84/32/02/384843202.db2.gz HXSGXFAXXUZMSF-UHFFFAOYSA-N -1 3 240.278 2.083 10 0 BEAEHM Cc1ccc(NC(=O)[C@H]2OCC[C@H]2C)c([O-])c1 ZINC000155943951 385423611 /nfs/dbraw/zinc/42/36/11/385423611.db2.gz LSUWYMYNNNPTIH-SKDRFNHKSA-N -1 3 235.283 2.064 10 0 BEAEHM COC(=O)Cc1cc([O-])c(Cl)cc1C ZINC000259875969 385787332 /nfs/dbraw/zinc/78/73/32/385787332.db2.gz BWMPMRQVHDRSMD-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM CCC[C@H]1C[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000231694758 385813697 /nfs/dbraw/zinc/81/36/97/385813697.db2.gz NHBTYNXOQMHLBQ-GXSJLCMTSA-N -1 3 249.310 2.319 10 0 BEAEHM C[C@H](C(F)F)n1ccc(=O)[n-]c1=S ZINC000307308859 385795770 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10 0 BEAEHM Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H]32)c1[O-] ZINC000336319547 179013513 /nfs/dbraw/zinc/01/35/13/179013513.db2.gz AOKVRMWCIUZWFI-PWSUYJOCSA-N -1 3 231.295 2.325 10 0 BEAEHM Cn1c(C2CCCC2)n[n-]c1=NC(C)(C)C ZINC000381604044 346411705 /nfs/dbraw/zinc/41/17/05/346411705.db2.gz PDCKDOSWQLJATQ-UHFFFAOYSA-N -1 3 222.336 2.105 10 0 BEAEHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189942025 179159955 /nfs/dbraw/zinc/15/99/55/179159955.db2.gz XMMDGVQQISDVLL-WDEREUQCSA-N -1 3 249.310 2.454 10 0 BEAEHM CCCN[C@@H](c1ocnc1C(=O)[O-])C(C)C ZINC000616569950 347881430 /nfs/dbraw/zinc/88/14/30/347881430.db2.gz ZBSRXDULIGOUKA-MRVPVSSYSA-N -1 3 226.276 2.070 10 0 BEAEHM O=c1[n-]c(-c2ccc(F)cc2)nc2c1CCC2 ZINC000042401125 187394516 /nfs/dbraw/zinc/39/45/16/187394516.db2.gz CUJGESDMNIDQLT-UHFFFAOYSA-N -1 3 230.242 2.065 10 0 BEAEHM CCc1noc2[n-]c(C3CC3)cc(=O)c12 ZINC000669384063 538012787 /nfs/dbraw/zinc/01/27/87/538012787.db2.gz NBEITAKZJYOUFI-UHFFFAOYSA-N -1 3 204.229 2.368 10 0 BEAEHM CCc1cc(=O)c2c([n-]1)onc2C1CC1 ZINC000669384548 538016558 /nfs/dbraw/zinc/01/65/58/538016558.db2.gz XWMNSMJLLWGJLJ-UHFFFAOYSA-N -1 3 204.229 2.368 10 0 BEAEHM CCCc1noc(-c2ccccc2[O-])n1 ZINC000022120025 350083582 /nfs/dbraw/zinc/08/35/82/350083582.db2.gz DSOGUKOJNIFGCD-UHFFFAOYSA-N -1 3 204.229 2.395 10 0 BEAEHM C[C@@H]1CC([O-])=C(C(=O)C(F)(F)F)[C@@H](C)C1 ZINC000219616873 350133271 /nfs/dbraw/zinc/13/32/71/350133271.db2.gz SYQFDNMMRKJQBS-VMHSAVOQSA-N -1 3 222.206 2.369 10 0 BEAEHM Cc1nn(C(=O)OC(C)(C)C)c2ncc([O-])cc12 ZINC000089224481 180331547 /nfs/dbraw/zinc/33/15/47/180331547.db2.gz JDQKQAHQDBQHRC-UHFFFAOYSA-N -1 3 249.270 2.229 10 0 BEAEHM O=c1cc2[nH][n-]c(Br)c-2c(F)c1 ZINC000014984149 350439482 /nfs/dbraw/zinc/43/94/82/350439482.db2.gz HOMMKCUXFILTBH-UHFFFAOYSA-N -1 3 231.024 2.170 10 0 BEAEHM O=c1cc2[n-][nH]c(Br)c-2c(F)c1 ZINC000014984149 350439487 /nfs/dbraw/zinc/43/94/87/350439487.db2.gz HOMMKCUXFILTBH-UHFFFAOYSA-N -1 3 231.024 2.170 10 0 BEAEHM CCC[C@@H]1C[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000227616667 350504069 /nfs/dbraw/zinc/50/40/69/350504069.db2.gz SAWUNOFQBBQQHS-SKDRFNHKSA-N -1 3 219.284 2.311 10 0 BEAEHM CCOC(=O)c1nn[n-]c1[C@H]1CCCC1(C)C ZINC000725266603 538095929 /nfs/dbraw/zinc/09/59/29/538095929.db2.gz UBGTXCYUIWFPMP-MRVPVSSYSA-N -1 3 237.303 2.275 10 0 BEAEHM CCOC(=O)c1[n-]nnc1[C@H]1CCCC1(C)C ZINC000725266603 538095932 /nfs/dbraw/zinc/09/59/32/538095932.db2.gz UBGTXCYUIWFPMP-MRVPVSSYSA-N -1 3 237.303 2.275 10 0 BEAEHM CCOC(=O)c1n[n-]nc1[C@H]1CCCC1(C)C ZINC000725266603 538095934 /nfs/dbraw/zinc/09/59/34/538095934.db2.gz UBGTXCYUIWFPMP-MRVPVSSYSA-N -1 3 237.303 2.275 10 0 BEAEHM c1c2ccccc2sc1Cc1nnn[n-]1 ZINC000095186834 350656661 /nfs/dbraw/zinc/65/66/61/350656661.db2.gz FZXHKACDEKZQPY-UHFFFAOYSA-N -1 3 216.269 2.005 10 0 BEAEHM c1c2ccccc2sc1Cc1nn[n-]n1 ZINC000095186834 350656663 /nfs/dbraw/zinc/65/66/63/350656663.db2.gz FZXHKACDEKZQPY-UHFFFAOYSA-N -1 3 216.269 2.005 10 0 BEAEHM C[C@H]1CCC[C@H](CC(=O)c2cnn[n-]2)C1 ZINC000306720155 350880219 /nfs/dbraw/zinc/88/02/19/350880219.db2.gz MMBFVBWPCIIAMV-IUCAKERBSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@H]1CCC[C@H](CC(=O)c2c[n-]nn2)C1 ZINC000306720155 350880223 /nfs/dbraw/zinc/88/02/23/350880223.db2.gz MMBFVBWPCIIAMV-IUCAKERBSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@H]1CCC[C@H](CC(=O)c2cn[n-]n2)C1 ZINC000306720155 350880227 /nfs/dbraw/zinc/88/02/27/350880227.db2.gz MMBFVBWPCIIAMV-IUCAKERBSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@H]1CCC[C@@H](CC(=O)c2cnn[n-]2)C1 ZINC000306720154 350880586 /nfs/dbraw/zinc/88/05/86/350880586.db2.gz MMBFVBWPCIIAMV-DTWKUNHWSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@H]1CCC[C@@H](CC(=O)c2c[n-]nn2)C1 ZINC000306720154 350880588 /nfs/dbraw/zinc/88/05/88/350880588.db2.gz MMBFVBWPCIIAMV-DTWKUNHWSA-N -1 3 207.277 2.204 10 0 BEAEHM C[C@H]1CCC[C@@H](CC(=O)c2cn[n-]n2)C1 ZINC000306720154 350880590 /nfs/dbraw/zinc/88/05/90/350880590.db2.gz MMBFVBWPCIIAMV-DTWKUNHWSA-N -1 3 207.277 2.204 10 0 BEAEHM CC1CCC(CC(=O)c2cnn[n-]2)CC1 ZINC000306726848 350897114 /nfs/dbraw/zinc/89/71/14/350897114.db2.gz AOLJGLDUEJXNBX-UHFFFAOYSA-N -1 3 207.277 2.204 10 0 BEAEHM CC1CCC(CC(=O)c2c[n-]nn2)CC1 ZINC000306726848 350897118 /nfs/dbraw/zinc/89/71/18/350897118.db2.gz AOLJGLDUEJXNBX-UHFFFAOYSA-N -1 3 207.277 2.204 10 0 BEAEHM CC1CCC(CC(=O)c2cn[n-]n2)CC1 ZINC000306726848 350897121 /nfs/dbraw/zinc/89/71/21/350897121.db2.gz AOLJGLDUEJXNBX-UHFFFAOYSA-N -1 3 207.277 2.204 10 0 BEAEHM CCN1CCCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616653664 351193703 /nfs/dbraw/zinc/19/37/03/351193703.db2.gz SSJLBKOVFOOEDT-CYBMUJFWSA-N -1 3 249.310 2.168 10 0 BEAEHM Cc1nc(C=C([O-])c2ccco2)cs1 ZINC000068979428 351310309 /nfs/dbraw/zinc/31/03/09/351310309.db2.gz PUGVHCCKYKFGSN-UHFFFAOYSA-N -1 3 207.254 2.470 10 0 BEAEHM Cc1ccsc1CN(C)c1nc([O-])cs1 ZINC000307244135 351748958 /nfs/dbraw/zinc/74/89/58/351748958.db2.gz KXUSIXAEHBAANO-UHFFFAOYSA-N -1 3 240.353 2.118 10 0 BEAEHM COc1cc([O-])c(Br)cc1C ZINC000215481012 353135924 /nfs/dbraw/zinc/13/59/24/353135924.db2.gz PATNNNHFZNLAQQ-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM CC(C)(C)c1ccc([C@](C)(N)C(=O)[O-])cc1 ZINC000003677057 188161045 /nfs/dbraw/zinc/16/10/45/188161045.db2.gz FUVAFYRFNSRLLB-ZDUSSCGKSA-N -1 3 221.300 2.243 10 0 BEAEHM CC1(C)COC(c2ccccc2[O-])OC1 ZINC000197720477 188177540 /nfs/dbraw/zinc/17/75/40/188177540.db2.gz FGHFHLQGZJDPTJ-UHFFFAOYSA-N -1 3 208.257 2.464 10 0 BEAEHM CC[C@H]1CCCN1C(=O)c1cccc(OC)c1[O-] ZINC000037915244 358479924 /nfs/dbraw/zinc/47/99/24/358479924.db2.gz VJMWOCWRXKGYLZ-JTQLQIEISA-N -1 3 249.310 2.415 10 0 BEAEHM O=c1cc(COc2ccccc2)[nH]c(=S)[n-]1 ZINC000029233986 356119515 /nfs/dbraw/zinc/11/95/15/356119515.db2.gz GZLSTPJCIVNYST-UHFFFAOYSA-N -1 3 234.280 2.011 10 0 BEAEHM COc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000336143816 134101444 /nfs/dbraw/zinc/10/14/44/134101444.db2.gz YTSVPBQTWNFTCK-CABZTGNLSA-N -1 3 247.294 2.025 10 0 BEAEHM CCCCC[C@@H]1N[C@H](CC(=O)[O-])CS1 ZINC000675078220 538514968 /nfs/dbraw/zinc/51/49/68/538514968.db2.gz CEKSYUHAMKWVJI-RKDXNWHRSA-N -1 3 217.334 2.073 10 0 BEAEHM O=c1[n-]c(Cl)nc2c(F)cc(F)cc12 ZINC000129368294 538574554 /nfs/dbraw/zinc/57/45/54/538574554.db2.gz AYJQTYWJALDBLZ-UHFFFAOYSA-N -1 3 216.574 2.267 10 0 BEAEHM O=Cc1ccc(Cc2cccnc2)cc1[O-] ZINC000039619833 358231403 /nfs/dbraw/zinc/23/14/03/358231403.db2.gz FYCOHDBTNWYLMX-UHFFFAOYSA-N -1 3 213.236 2.191 10 0 BEAEHM CCCNC(=O)c1ccc([O-])c(CCC)c1 ZINC000584592316 358250471 /nfs/dbraw/zinc/25/04/71/358250471.db2.gz ZNTBTPNXDQLJME-UHFFFAOYSA-N -1 3 221.300 2.485 10 0 BEAEHM COc1cc(C(=O)[O-])ccc1CN(C)C(C)C ZINC000584597894 358255906 /nfs/dbraw/zinc/25/59/06/358255906.db2.gz SHVSUCRZPWYIKT-UHFFFAOYSA-N -1 3 237.299 2.234 10 0 BEAEHM CCc1oc(-c2cccc(C)c2)nc1[O-] ZINC000584638277 358323844 /nfs/dbraw/zinc/32/38/44/358323844.db2.gz HPISODQQTXRGRV-SNVBAGLBSA-N -1 3 203.241 2.077 10 0 BEAEHM CSC1CCN(c2nc([O-])cs2)CC1 ZINC000306192913 359021654 /nfs/dbraw/zinc/02/16/54/359021654.db2.gz CICFTVLAQYUFQT-UHFFFAOYSA-N -1 3 230.358 2.181 10 0 BEAEHM Cc1oc2c(cc(Cl)cc2F)c1[O-] ZINC000306325533 359608707 /nfs/dbraw/zinc/60/87/07/359608707.db2.gz HQTFBKMCPPVCCD-SCSAIBSYSA-N -1 3 200.596 2.443 10 0 BEAEHM CC(C)[C@H]1CCCN1c1nc([O-])cs1 ZINC000306429824 359883482 /nfs/dbraw/zinc/88/34/82/359883482.db2.gz PLEGWHZTENVYNK-MRVPVSSYSA-N -1 3 212.318 2.474 10 0 BEAEHM C[C@@H]1CCN(c2nc([O-])cs2)C[C@@H]1C ZINC000306449883 360018670 /nfs/dbraw/zinc/01/86/70/360018670.db2.gz YMWCTIXHKYLMDK-SFYZADRCSA-N -1 3 212.318 2.331 10 0 BEAEHM CN1CCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000141664206 360965573 /nfs/dbraw/zinc/96/55/73/360965573.db2.gz WSDIEEXAUCMABH-LLVKDONJSA-N -1 3 205.257 2.152 10 0 BEAEHM Fc1cc(F)cc(-c2nc(Cl)n[n-]2)c1 ZINC000070584170 361573631 /nfs/dbraw/zinc/57/36/31/361573631.db2.gz RCDVOAXPZJVAML-UHFFFAOYSA-N -1 3 215.590 2.403 10 0 BEAEHM Cc1noc2[n-]c(CC3CC3)cc(=O)c12 ZINC000669384184 541437714 /nfs/dbraw/zinc/43/77/14/541437714.db2.gz PTEJRQUSLTWGDE-UHFFFAOYSA-N -1 3 204.229 2.189 10 0 BEAEHM CC(C)[C@H]1CN(COC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000199947034 368354174 /nfs/dbraw/zinc/35/41/74/368354174.db2.gz WMBKWOYSSYDOBH-MNOVXSKESA-N -1 3 243.347 2.048 10 0 BEAEHM Cn1ccc([N-]c2nc(-c3cn[nH]c3)cs2)n1 ZINC000113681130 370452124 /nfs/dbraw/zinc/45/21/24/370452124.db2.gz PYOABSMMMUNBCC-UHFFFAOYSA-N -1 3 246.299 2.010 10 0 BEAEHM COc1cccc(C(=O)NC[C@H](C)C2CC2)c1[O-] ZINC000132751116 371914867 /nfs/dbraw/zinc/91/48/67/371914867.db2.gz GDBJRVDXUXHGSJ-VIFPVBQESA-N -1 3 249.310 2.177 10 0 BEAEHM [O-]c1ccc(Br)c2c1C=NCC2 ZINC000064403850 183267416 /nfs/dbraw/zinc/26/74/16/183267416.db2.gz IQMSYUFDORXMOB-UHFFFAOYSA-N -1 3 226.073 2.130 10 0 BEAEHM [O-]c1ccc(-c2ccc(O)cn2)cc1F ZINC000065355703 183263905 /nfs/dbraw/zinc/26/39/05/183263905.db2.gz AMIZKQTZSCZODG-UHFFFAOYSA-N -1 3 205.188 2.299 10 0 BEAEHM [O-]c1cccc2[nH]c(C(F)(F)F)nc21 ZINC000076214064 183297945 /nfs/dbraw/zinc/29/79/45/183297945.db2.gz LHFTYTVRWFFRAR-UHFFFAOYSA-N -1 3 202.135 2.287 10 0 BEAEHM CCCN[C@@](C)(C(=O)[O-])c1ccc(F)cc1F ZINC000037182203 169284253 /nfs/dbraw/zinc/28/42/53/169284253.db2.gz JXCIIIJKGFSMAI-GFCCVEGCSA-N -1 3 243.253 2.264 10 0 BEAEHM CCCOc1ccccc1CN[C@@H](C)C(=O)[O-] ZINC000041689473 169326988 /nfs/dbraw/zinc/32/69/88/169326988.db2.gz ZNGQAHFMKOBPSG-JTQLQIEISA-N -1 3 237.299 2.038 10 0 BEAEHM CCC[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000019838066 169369094 /nfs/dbraw/zinc/36/90/94/169369094.db2.gz NJHRZWCIFHEZJP-SECBINFHSA-N -1 3 237.299 2.319 10 0 BEAEHM CCC[C@@H](C)NC(=O)c1ccc([O-])cc1 ZINC000019838080 169369210 /nfs/dbraw/zinc/36/92/10/169369210.db2.gz LPVVEUUUMNELLV-SECBINFHSA-N -1 3 207.273 2.311 10 0 BEAEHM CCC[C@H](C(=O)Nc1ccccc1[O-])N(C)C ZINC000159324700 384323551 /nfs/dbraw/zinc/32/35/51/384323551.db2.gz ZBZWBGQTSACYOX-LLVKDONJSA-N -1 3 236.315 2.061 10 0 BEAEHM COC(=O)c1cc2cccc([O-])c2c(OC)c1 ZINC000095937682 384417539 /nfs/dbraw/zinc/41/75/39/384417539.db2.gz WASCCALFIICCMS-UHFFFAOYSA-N -1 3 232.235 2.341 10 0 BEAEHM [O-]c1ccc(Br)c(Cl)c1CO ZINC000575676029 384481940 /nfs/dbraw/zinc/48/19/40/384481940.db2.gz 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/nfs/dbraw/zinc/98/16/43/537981643.db2.gz XWHMWNKGHQNMFA-UHFFFAOYSA-N -1 3 218.256 2.110 10 0 BEAEHM CC(=O)c1cc([O-])cc(OC(F)(F)F)c1 ZINC000616576809 349103453 /nfs/dbraw/zinc/10/34/53/349103453.db2.gz QZAHUOXDVSPFNX-UHFFFAOYSA-N -1 3 220.146 2.493 10 0 BEAEHM CCOC(=O)/C=C\c1cc(F)ccc1[O-] ZINC000034130975 350257087 /nfs/dbraw/zinc/25/70/87/350257087.db2.gz WPJUITWUKANQHJ-UTCJRWHESA-N -1 3 210.204 2.108 10 0 BEAEHM CC(C)CCc1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266491 538096124 /nfs/dbraw/zinc/09/61/24/538096124.db2.gz DNLJXEOOZDAFKJ-UHFFFAOYSA-N -1 3 239.319 2.349 10 0 BEAEHM CC(C)CCc1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266491 538096127 /nfs/dbraw/zinc/09/61/27/538096127.db2.gz DNLJXEOOZDAFKJ-UHFFFAOYSA-N -1 3 239.319 2.349 10 0 BEAEHM CC(C)CCc1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266491 538096129 /nfs/dbraw/zinc/09/61/29/538096129.db2.gz DNLJXEOOZDAFKJ-UHFFFAOYSA-N -1 3 239.319 2.349 10 0 BEAEHM CCCc1ncc(Br)c(=S)[n-]1 ZINC000233385507 350676217 /nfs/dbraw/zinc/67/62/17/350676217.db2.gz 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3 243.310 2.089 10 0 BEAEHM Nc1cc(OC(F)(F)F)cc([O-])c1F ZINC000306907484 351322022 /nfs/dbraw/zinc/32/20/22/351322022.db2.gz DCQIKAPGEAMNAE-UHFFFAOYSA-N -1 3 211.114 2.012 10 0 BEAEHM COC(=O)c1c([O-])ccc(Cl)c1Cl ZINC000306922548 351342233 /nfs/dbraw/zinc/34/22/33/351342233.db2.gz VUPKDFFSZOCNMA-UHFFFAOYSA-N -1 3 221.039 2.486 10 0 BEAEHM Cc1oncc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000034956061 351361856 /nfs/dbraw/zinc/36/18/56/351361856.db2.gz CJKXVFXIUVFFFT-UHFFFAOYSA-N -1 3 243.222 2.406 10 0 BEAEHM CC[S@](=O)Nc1cc(Cl)ccc1[O-] ZINC000307418119 352591502 /nfs/dbraw/zinc/59/15/02/352591502.db2.gz LXXKROLUJCWMOZ-ZDUSSCGKSA-N -1 3 219.693 2.141 10 0 BEAEHM NC(=S)c1ccc([O-])cc1C(F)(F)F ZINC000036949561 188113170 /nfs/dbraw/zinc/11/31/70/188113170.db2.gz IGJUPBOGGMFYRX-UHFFFAOYSA-N -1 3 221.203 2.045 10 0 BEAEHM C/C=C/CN1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592169 188152650 /nfs/dbraw/zinc/15/26/50/188152650.db2.gz RSADWTYZYFSAMG-KXMPLOMGSA-N -1 3 237.324 2.308 10 0 BEAEHM CCOC(=O)c1cc2ccc(F)cc2c(=O)[n-]1 ZINC000259952798 538833665 /nfs/dbraw/zinc/83/36/65/538833665.db2.gz CEZSOKHZURRWAZ-UHFFFAOYSA-N -1 3 235.214 2.256 10 0 BEAEHM COc1cc(Br)c([O-])cc1C ZINC000219717644 357388040 /nfs/dbraw/zinc/38/80/40/357388040.db2.gz SRLXEENTHDCNAK-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM Nc1ccc(-c2ccc([C@H](N)C(=O)[O-])cc2)cc1 ZINC000584611959 358275853 /nfs/dbraw/zinc/27/58/53/358275853.db2.gz VXEWRCHIKZRIOS-ZDUSSCGKSA-N -1 3 242.278 2.020 10 0 BEAEHM CCOC(=O)C(=C([O-])CC)c1ccc(F)cc1 ZINC000584595360 358252613 /nfs/dbraw/zinc/25/26/13/358252613.db2.gz RJVOHHAVHKWBML-LBPRGKRZSA-N -1 3 238.258 2.452 10 0 BEAEHM COc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000134989244 358814792 /nfs/dbraw/zinc/81/47/92/358814792.db2.gz JSAVFSWUZRTKMM-UWVGGRQHSA-N -1 3 249.310 2.271 10 0 BEAEHM CC(=O)[N-]OCc1ccccc1Br ZINC000306516151 360343786 /nfs/dbraw/zinc/34/37/86/360343786.db2.gz AZESYNIEUTXFOB-UHFFFAOYSA-N -1 3 244.088 2.017 10 0 BEAEHM C[C@@H]1C[C@H](n2ccc(=O)[n-]c2=S)CS1 ZINC000306565622 360443593 /nfs/dbraw/zinc/44/35/93/360443593.db2.gz FOMCUEZNVCMFLX-RQJHMYQMSA-N -1 3 228.342 2.385 10 0 BEAEHM [O-]c1cnc(Cl)cc1OC(F)(F)F ZINC000238664340 361175280 /nfs/dbraw/zinc/17/52/80/361175280.db2.gz MCWQAVPASWPKBZ-UHFFFAOYSA-N -1 3 213.542 2.339 10 0 BEAEHM O=C([O-])[C@@H]1CCS[C@@H](C2CCCCC2)N1 ZINC000037737028 364565120 /nfs/dbraw/zinc/56/51/20/364565120.db2.gz WVINVWAGGOHOHZ-UWVGGRQHSA-N -1 3 229.345 2.073 10 0 BEAEHM COc1ccc(-n2nc3ccccc3n2)c([O-])c1 ZINC000034195793 368322366 /nfs/dbraw/zinc/32/23/66/368322366.db2.gz HZTYZWICLYUPSX-UHFFFAOYSA-N -1 3 241.250 2.135 10 0 BEAEHM C[C@@H](c1nc2c(c(=O)[n-]1)CC(C)(C)CC2)N(C)C ZINC000114721442 368949839 /nfs/dbraw/zinc/94/98/39/368949839.db2.gz ZBKWRYXQSRLFPS-VIFPVBQESA-N -1 3 249.358 2.320 10 0 BEAEHM C[C@@H](c1ccco1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226396332 371660382 /nfs/dbraw/zinc/66/03/82/371660382.db2.gz IKQFBOLXUTZYBN-VHSXEESVSA-N -1 3 223.272 2.137 10 0 BEAEHM O=c1[n-]c(C2CCC2)nc2c1CSCC2 ZINC000606303591 372093049 /nfs/dbraw/zinc/09/30/49/372093049.db2.gz SLQXBOJBKGGWRY-UHFFFAOYSA-N -1 3 222.313 2.239 10 0 BEAEHM COc1cc(C)cc([O-])c1Br ZINC000038293518 372531153 /nfs/dbraw/zinc/53/11/53/372531153.db2.gz DYYKOEWGLIGYJU-UHFFFAOYSA-N -1 3 217.062 2.472 10 0 BEAEHM COC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000140626307 372736165 /nfs/dbraw/zinc/73/61/65/372736165.db2.gz SKXNDSBUOUAYHR-UHFFFAOYSA-N -1 3 221.039 2.486 10 0 BEAEHM O=C(Cn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000029129757 182070843 /nfs/dbraw/zinc/07/08/43/182070843.db2.gz PSOMARMCJMDISA-UHFFFAOYSA-N -1 3 236.658 2.125 10 0 BEAEHM O=C(NCCc1ccsc1)c1cccc([O-])c1 ZINC000049186177 182209821 /nfs/dbraw/zinc/20/98/21/182209821.db2.gz DMLKBWHQWKPEHW-UHFFFAOYSA-N -1 3 247.319 2.426 10 0 BEAEHM [O-]c1ccc2c(c1Br)CCO2 ZINC000084306230 183283457 /nfs/dbraw/zinc/28/34/57/183283457.db2.gz ZNDIZVZVURQQSN-UHFFFAOYSA-N -1 3 215.046 2.090 10 0 BEAEHM [O-]c1ccccc1-c1nc2cc[nH]cc-2n1 ZINC000005117309 183299990 /nfs/dbraw/zinc/29/99/90/183299990.db2.gz 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/nfs/dbraw/zinc/31/75/23/387317523.db2.gz LFCGAFVFAAFPBR-UHFFFAOYSA-N -1 3 218.199 2.221 10 0 BEAEHM CC(=O)c1c(O)ccc([O-])c1Br ZINC000575688185 387377117 /nfs/dbraw/zinc/37/71/17/387377117.db2.gz XNSUURXGYXYNIE-UHFFFAOYSA-N -1 3 231.045 2.063 10 0 BEAEHM COc1ccc(OC)c(C(F)(F)F)c1[O-] ZINC000575671878 387341419 /nfs/dbraw/zinc/34/14/19/387341419.db2.gz QQJHEPNKRGJLFS-UHFFFAOYSA-N -1 3 222.162 2.428 10 0 BEAEHM Cc1ccc(N)c(Br)c1[O-] ZINC000575719854 387439822 /nfs/dbraw/zinc/43/98/22/387439822.db2.gz AWOYNFAQVHXLPY-UHFFFAOYSA-N -1 3 202.051 2.045 10 0 BEAEHM Nc1ccc(OC(F)F)c(Cl)c1[O-] ZINC000575720292 387441830 /nfs/dbraw/zinc/44/18/30/387441830.db2.gz KJNSCTLFULMHLF-UHFFFAOYSA-N -1 3 209.579 2.229 10 0 BEAEHM [O-]c1cc(F)cc(C(F)(F)F)c1CO ZINC000575704011 387400761 /nfs/dbraw/zinc/40/07/61/387400761.db2.gz SHENAJIRRVUSFI-UHFFFAOYSA-N -1 3 210.126 2.042 10 0 BEAEHM CCOC(=O)Cc1cc([O-])cc(Cl)c1F ZINC000575700522 387403526 /nfs/dbraw/zinc/40/35/26/387403526.db2.gz LTVDXPYLJFVINK-UHFFFAOYSA-N -1 3 232.638 2.290 10 0 BEAEHM COC(=O)c1c(C)cc([O-])cc1Br ZINC000575712789 387416698 /nfs/dbraw/zinc/41/66/98/387416698.db2.gz QSWURIQNOZUJJG-UHFFFAOYSA-N -1 3 245.072 2.250 10 0 BEAEHM COC(=O)c1c([O-])cc(C(F)(F)F)cc1F ZINC000575713917 387416781 /nfs/dbraw/zinc/41/67/81/387416781.db2.gz KXJSEKGMSIERKY-UHFFFAOYSA-N -1 3 238.136 2.337 10 0 BEAEHM O=C(c1ccccc1[O-])N1C[C@H]2CCC[C@@H]21 ZINC000336593465 387418983 /nfs/dbraw/zinc/41/89/83/387418983.db2.gz RXHDDYHXGJGVAL-KOLCDFICSA-N -1 3 217.268 2.017 10 0 BEAEHM O=Cc1cc(Cc2cccnc2)ccc1[O-] ZINC000039619814 387497076 /nfs/dbraw/zinc/49/70/76/387497076.db2.gz IKTPTXRNENTYQS-UHFFFAOYSA-N -1 3 213.236 2.191 10 0 BEAEHM CC(C)OC(=O)c1cc2c(Cl)[n-]cnc-2n1 ZINC000575624209 387811516 /nfs/dbraw/zinc/81/15/16/387811516.db2.gz RUMMIPPFTHAMQE-UHFFFAOYSA-N -1 3 239.662 2.177 10 0 BEAEHM CC(C)OC(=O)c1cc2c(Cl)nc[n-]c-2n1 ZINC000575624209 387811520 /nfs/dbraw/zinc/81/15/20/387811520.db2.gz RUMMIPPFTHAMQE-UHFFFAOYSA-N -1 3 239.662 2.177 10 0 BEAEHM CC(C)OC(=O)c1cc2c([n-]1)ncnc2Cl ZINC000575624209 387811524 /nfs/dbraw/zinc/81/15/24/387811524.db2.gz RUMMIPPFTHAMQE-UHFFFAOYSA-N -1 3 239.662 2.177 10 0 BEAEHM CCOc1cc([O-])cc(C#N)c1OCC ZINC000575651217 387888354 /nfs/dbraw/zinc/88/83/54/387888354.db2.gz SFRXUTLPYSJCNQ-UHFFFAOYSA-N -1 3 207.229 2.061 10 0 BEAEHM CNc1cc(C)nc2cc(C(=O)[O-])ccc21 ZINC000004226502 388395104 /nfs/dbraw/zinc/39/51/04/388395104.db2.gz OFBLQOFBYDOJSC-UHFFFAOYSA-N -1 3 216.240 2.283 10 0 BEAEHM Cc1ccc([C@@H]2CCCN2CC(=O)[O-])s1 ZINC000237784789 388398604 /nfs/dbraw/zinc/39/86/04/388398604.db2.gz GKWPRBFEOHNVSE-VIFPVBQESA-N -1 3 225.313 2.278 10 0 BEAEHM CSCC(=O)Nc1ccc(C)cc1[O-] ZINC000040413249 388414994 /nfs/dbraw/zinc/41/49/94/388414994.db2.gz KRVJRIHMVZWMTN-UHFFFAOYSA-N -1 3 211.286 2.002 10 0 BEAEHM CSCCCCNC(=O)c1ccccc1[O-] ZINC000124536924 388663594 /nfs/dbraw/zinc/66/35/94/388663594.db2.gz RPMOQQHSDFXKRJ-UHFFFAOYSA-N -1 3 239.340 2.265 10 0 BEAEHM COc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000335944081 134018772 /nfs/dbraw/zinc/01/87/72/134018772.db2.gz MERCDMOYNNOJLP-SKDRFNHKSA-N -1 3 247.294 2.025 10 0 BEAEHM Cc1cc(C(=O)N2C[C@H]3CCC[C@H]32)ccc1[O-] ZINC000335968056 134028858 /nfs/dbraw/zinc/02/88/58/134028858.db2.gz JJYYUPLQHQZSJQ-VXGBXAGGSA-N -1 3 231.295 2.325 10 0 BEAEHM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000335968053 134028887 /nfs/dbraw/zinc/02/88/87/134028887.db2.gz JJYYUPLQHQZSJQ-NEPJUHHUSA-N -1 3 231.295 2.325 10 0 BEAEHM CC(C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000020304726 167380127 /nfs/dbraw/zinc/38/01/27/167380127.db2.gz DQQOCLSIXLJLDZ-SECBINFHSA-N -1 3 207.273 2.167 10 0 BEAEHM CC(C)CCN(C)Cc1ncccc1C(=O)[O-] ZINC000304172763 411353280 /nfs/dbraw/zinc/35/32/80/411353280.db2.gz MAACAWWAOUKKMA-UHFFFAOYSA-N -1 3 236.315 2.258 10 0 BEAEHM CCN1Cc2cc(Cl)ccc2C[C@@H]1C(=O)[O-] ZINC000008698952 170040850 /nfs/dbraw/zinc/04/08/50/170040850.db2.gz JKIOECKVAOTSHL-LLVKDONJSA-N -1 3 239.702 2.171 10 0 BEAEHM CCOC(=O)Cc1ccc([O-])c2ncccc12 ZINC000039194293 170236319 /nfs/dbraw/zinc/23/63/19/170236319.db2.gz NFHXBLRSZGKRFT-UHFFFAOYSA-N -1 3 231.251 2.046 10 0 BEAEHM CCOC(=O)c1[n-]nc2cc(F)cc(F)c21 ZINC000095930572 170306141 /nfs/dbraw/zinc/30/61/41/170306141.db2.gz CTAWFWSRVDKYNC-UHFFFAOYSA-N -1 3 226.182 2.018 10 0 BEAEHM CCOC(=O)c1n[n-]c2cc(F)cc(F)c21 ZINC000095930572 170306142 /nfs/dbraw/zinc/30/61/42/170306142.db2.gz CTAWFWSRVDKYNC-UHFFFAOYSA-N -1 3 226.182 2.018 10 0 BEAEHM CCOC(=O)c1nc(CC2CCCCC2)n[n-]1 ZINC000103925231 170306233 /nfs/dbraw/zinc/30/62/33/170306233.db2.gz GWOMILSQCLDRDB-UHFFFAOYSA-N -1 3 237.303 2.104 10 0 BEAEHM CCOC(=O)c1nnc(CC2CCCCC2)[n-]1 ZINC000103925231 170306234 /nfs/dbraw/zinc/30/62/34/170306234.db2.gz GWOMILSQCLDRDB-UHFFFAOYSA-N -1 3 237.303 2.104 10 0 BEAEHM CCOC(=O)c1n[n-]c(CC2CCCCC2)n1 ZINC000103925231 170306235 /nfs/dbraw/zinc/30/62/35/170306235.db2.gz GWOMILSQCLDRDB-UHFFFAOYSA-N -1 3 237.303 2.104 10 0 BEAEHM COC(=O)Cc1c(Cl)ccc(C)c1[O-] ZINC000259948164 411581994 /nfs/dbraw/zinc/58/19/94/411581994.db2.gz IKJATGWUYJBUFV-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM CC[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102136 171350452 /nfs/dbraw/zinc/35/04/52/171350452.db2.gz JNSRNXJMAIOPDE-QMMMGPOBSA-N -1 3 217.276 2.077 10 0 BEAEHM CC[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102136 171350453 /nfs/dbraw/zinc/35/04/53/171350453.db2.gz JNSRNXJMAIOPDE-QMMMGPOBSA-N -1 3 217.276 2.077 10 0 BEAEHM CN(C)C(=O)c1ccc([O-])cc1C(C)(C)C ZINC000095711565 172390381 /nfs/dbraw/zinc/39/03/81/172390381.db2.gz HOXNRZLGJCYHCG-UHFFFAOYSA-N -1 3 221.300 2.392 10 0 BEAEHM COc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000037947675 175038703 /nfs/dbraw/zinc/03/87/03/175038703.db2.gz LIQZMFBYFSHFLG-UHFFFAOYSA-N -1 3 230.267 2.062 10 0 BEAEHM COc1ccc(C(C)C)cc1[C@](C)(N)C(=O)[O-] ZINC000003677112 175069960 /nfs/dbraw/zinc/06/99/60/175069960.db2.gz ZIFNFNYWDFPHOF-ZDUSSCGKSA-N -1 3 237.299 2.077 10 0 BEAEHM COc1cccc(C(=O)Nc2ccccn2)c1[O-] ZINC000019837367 175246594 /nfs/dbraw/zinc/24/65/94/175246594.db2.gz AFUVIEHUQVPXRI-UHFFFAOYSA-N -1 3 244.250 2.048 10 0 BEAEHM C[C@@H]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CCCN3)C1 ZINC000104381787 176126286 /nfs/dbraw/zinc/12/62/86/176126286.db2.gz YDTINCSAYLXQJS-NXEZZACHSA-N -1 3 247.342 2.422 10 0 BEAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000189219917 177397678 /nfs/dbraw/zinc/39/76/78/177397678.db2.gz KDUYNUQZWRFSDC-NXEZZACHSA-N -1 3 235.283 2.146 10 0 BEAEHM C[C@H](N(C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254702 487777203 /nfs/dbraw/zinc/77/72/03/487777203.db2.gz PMKHKBPXUWNRQX-JTQLQIEISA-N -1 3 248.326 2.400 10 0 BEAEHM CCC[C@H](C)N(C)Cc1ncccc1C(=O)[O-] ZINC000304146145 487873258 /nfs/dbraw/zinc/87/32/58/487873258.db2.gz AFCCTKMMJKKRKO-JTQLQIEISA-N -1 3 236.315 2.400 10 0 BEAEHM CCC[C@H]1C[C@H]1NC(=O)c1ccc(OC)cc1[O-] ZINC000075559430 325300889 /nfs/dbraw/zinc/30/08/89/325300889.db2.gz OTFXQRSGNGHMLW-JOYOIKCWSA-N -1 3 249.310 2.319 10 0 BEAEHM COC(=O)c1c(C(C)C)n[n-]c1C(F)(F)F ZINC000409441898 488047167 /nfs/dbraw/zinc/04/71/67/488047167.db2.gz UNTRWVASBCNJKQ-UHFFFAOYSA-N -1 3 236.193 2.339 10 0 BEAEHM COC(=O)c1c(C(F)(F)F)n[n-]c1C(C)C ZINC000409441898 488047175 /nfs/dbraw/zinc/04/71/75/488047175.db2.gz UNTRWVASBCNJKQ-UHFFFAOYSA-N -1 3 236.193 2.339 10 0 BEAEHM CC[C@]1(C)CCN(Cc2ncccc2C(=O)[O-])C1 ZINC000399281570 488228646 /nfs/dbraw/zinc/22/86/46/488228646.db2.gz BJUQHVPHPJSPHD-CQSZACIVSA-N -1 3 248.326 2.402 10 0 BEAEHM O=C(C=C([O-])[C@@]12C[C@@H]1CCCC2)C(F)F ZINC000709144754 582992989 /nfs/dbraw/zinc/99/29/89/582992989.db2.gz CUTDJPDRGHLCTE-CPCISQLKSA-N -1 3 216.227 2.360 10 0 BEAEHM CC(C(=O)C(C)(C)C)=C([O-])C(F)(F)F ZINC000395458622 583058700 /nfs/dbraw/zinc/05/87/00/583058700.db2.gz KJAWXUIOQWYRBO-YFKPBYRVSA-N -1 3 210.195 2.369 10 0 BEAEHM CC(C(=O)C(F)(F)F)=C([O-])C(C)(C)C ZINC000395458622 583058703 /nfs/dbraw/zinc/05/87/03/583058703.db2.gz KJAWXUIOQWYRBO-YFKPBYRVSA-N -1 3 210.195 2.369 10 0 BEAEHM CC(F)(F)C([O-])=CC(=O)[C@H]1CC1(C)C ZINC000397687839 583106341 /nfs/dbraw/zinc/10/63/41/583106341.db2.gz NSYRWXCLNOYCRA-ZCFIWIBFSA-N -1 3 204.216 2.216 10 0 BEAEHM CC(F)(F)C(=O)C=C([O-])[C@H]1CC1(C)C ZINC000397687839 583106344 /nfs/dbraw/zinc/10/63/44/583106344.db2.gz NSYRWXCLNOYCRA-ZCFIWIBFSA-N -1 3 204.216 2.216 10 0 BEAEHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H](C)O1 ZINC000232449581 641272950 /nfs/dbraw/zinc/27/29/50/641272950.db2.gz VYNNIALZARUOMR-NXEZZACHSA-N -1 3 239.290 2.141 10 0 BEAEHM Cc1ccc([C@H](C)NCc2nc(C)cc(=O)[n-]2)o1 ZINC000700479370 711994858 /nfs/dbraw/zinc/99/48/58/711994858.db2.gz DTKQFEGJBFNSLD-JTQLQIEISA-N -1 3 247.298 2.243 10 0 BEAEHM O=C([O-])c1csc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000711432620 977547727 /nfs/dbraw/zinc/54/77/27/977547727.db2.gz ZLKQYMKBJMEMDN-XCBNKYQSSA-N -1 3 223.297 2.041 10 0 BEAEHM C[C@@H](NCC[C@H](C)F)c1ncc(C(=O)[O-])s1 ZINC000702643176 977099101 /nfs/dbraw/zinc/09/91/01/977099101.db2.gz HVMQDDDJSDMMEU-NKWVEPMBSA-N -1 3 246.307 2.240 10 0 BEAEHM C[C@@H]1CN(Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915298 977368898 /nfs/dbraw/zinc/36/88/98/977368898.db2.gz MWTZLBWDCFNSNE-SFYZADRCSA-N -1 3 225.313 2.287 10 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CC[C@H](CC(C)C)c1n[n-]nc1C(=O)OC ZINC000685953091 538896703 /nfs/dbraw/zinc/89/67/03/538896703.db2.gz FWHDGXPNQLRQNU-MRVPVSSYSA-N -1 3 225.292 2.131 10 0 BEAEHM Cc1cc2nc(N)c(=S)[n-]c2cc1C ZINC000075606477 178301922 /nfs/dbraw/zinc/30/19/22/178301922.db2.gz JDKBBHPCMOLQGF-UHFFFAOYSA-N -1 3 205.286 2.118 10 0 BEAEHM Cc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000016857687 178318286 /nfs/dbraw/zinc/31/82/86/178318286.db2.gz SRJAKPZQIWUJKE-UHFFFAOYSA-N -1 3 200.241 2.054 10 0 BEAEHM O=C1C=C([O-])C(CCCc2ccccc2)O1 ZINC000146409362 342769436 /nfs/dbraw/zinc/76/94/36/342769436.db2.gz CDRAXZCZZUYGRB-LBPRGKRZSA-N -1 3 218.252 2.377 10 0 BEAEHM CCC(CC)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000019966474 168394087 /nfs/dbraw/zinc/39/40/87/168394087.db2.gz JTNBMLNCMVCLNG-UHFFFAOYSA-N -1 3 232.283 2.171 10 0 BEAEHM CC[C@@H](C)Cc1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266649 539026915 /nfs/dbraw/zinc/02/69/15/539026915.db2.gz ZWJAOHSRSVQNOD-MRVPVSSYSA-N -1 3 239.319 2.349 10 0 BEAEHM CC[C@@H](C)Cc1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266649 539026916 /nfs/dbraw/zinc/02/69/16/539026916.db2.gz ZWJAOHSRSVQNOD-MRVPVSSYSA-N -1 3 239.319 2.349 10 0 BEAEHM CC[C@@H](C)Cc1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266649 539026917 /nfs/dbraw/zinc/02/69/17/539026917.db2.gz ZWJAOHSRSVQNOD-MRVPVSSYSA-N -1 3 239.319 2.349 10 0 BEAEHM CC[C@H](C)Cc1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266650 539027135 /nfs/dbraw/zinc/02/71/35/539027135.db2.gz ZWJAOHSRSVQNOD-QMMMGPOBSA-N -1 3 239.319 2.349 10 0 BEAEHM CC[C@H](C)Cc1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266650 539027136 /nfs/dbraw/zinc/02/71/36/539027136.db2.gz ZWJAOHSRSVQNOD-QMMMGPOBSA-N -1 3 239.319 2.349 10 0 BEAEHM CC[C@H](C)Cc1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266650 539027137 /nfs/dbraw/zinc/02/71/37/539027137.db2.gz ZWJAOHSRSVQNOD-QMMMGPOBSA-N -1 3 239.319 2.349 10 0 BEAEHM O=c1cc(-c2ccc(F)cc2Cl)nc[n-]1 ZINC000236155130 398306398 /nfs/dbraw/zinc/30/63/98/398306398.db2.gz CEGUHKNIXICPEY-UHFFFAOYSA-N -1 3 224.622 2.229 10 0 BEAEHM O=C1CCc2c(cc([O-])c3ccccc32)O1 ZINC000013560928 343094246 /nfs/dbraw/zinc/09/42/46/343094246.db2.gz FYQNTGJJDRMIFN-UHFFFAOYSA-N -1 3 214.220 2.397 10 0 BEAEHM CC(C)c1cc(=O)[n-]c(NC2CCCC2)n1 ZINC000041603744 343422218 /nfs/dbraw/zinc/42/22/18/343422218.db2.gz BFKSOPIIOKPIES-UHFFFAOYSA-N -1 3 221.304 2.248 10 0 BEAEHM CCOC([S-])=NC(=O)C=Cc1ccccc1 ZINC000048523159 343582594 /nfs/dbraw/zinc/58/25/94/343582594.db2.gz ZVPJOQGKHZMDHA-CMDGGOBGSA-N -1 3 235.308 2.137 10 0 BEAEHM CCOC(=S)[N-]C(=O)C=Cc1ccccc1 ZINC000048523159 343582596 /nfs/dbraw/zinc/58/25/96/343582596.db2.gz ZVPJOQGKHZMDHA-CMDGGOBGSA-N -1 3 235.308 2.137 10 0 BEAEHM CCc1nc2ccccc2c(N)c1C(=O)[O-] ZINC000114242217 343678339 /nfs/dbraw/zinc/67/83/39/343678339.db2.gz NGIBDYVRYXQEEV-UHFFFAOYSA-N -1 3 216.240 2.078 10 0 BEAEHM CCN(c1cc(=O)[n-]c(=O)[nH]1)C1CCCCC1 ZINC000409427895 343802127 /nfs/dbraw/zinc/80/21/27/343802127.db2.gz CTCWDAGIOBXSLD-UHFFFAOYSA-N -1 3 237.303 2.047 10 0 BEAEHM O=c1cc(-c2ccccc2F)nc(C2CC2)[n-]1 ZINC000044119528 343780702 /nfs/dbraw/zinc/78/07/02/343780702.db2.gz 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[O-]C(=Cc1ccoc1)c1ncccc1F ZINC000130693503 345282040 /nfs/dbraw/zinc/28/20/40/345282040.db2.gz SHQJYBJKDSGWOG-UHFFFAOYSA-N -1 3 205.188 2.239 10 0 BEAEHM CN1C[C@@H](C(=O)[O-])C[C@H]1c1ccccc1Cl ZINC000250615503 345479462 /nfs/dbraw/zinc/47/94/62/345479462.db2.gz NUOMWGOJVGKZPL-KWQFWETISA-N -1 3 239.702 2.417 10 0 BEAEHM [O-]c1ccc(O)cc1-c1ccc(Cl)nn1 ZINC000054930916 345563627 /nfs/dbraw/zinc/56/36/27/345563627.db2.gz SIQWTIATBJPNSL-UHFFFAOYSA-N -1 3 222.631 2.208 10 0 BEAEHM Cc1cc(O[C@H]2CCCCO2)cc([O-])c1C=O ZINC000034506757 345829910 /nfs/dbraw/zinc/82/99/10/345829910.db2.gz QMVFMMLKLLRERJ-ZDUSSCGKSA-N -1 3 236.267 2.419 10 0 BEAEHM O=c1cc(-c2c(F)cccc2F)[nH]c(=S)[n-]1 ZINC000084122949 345921900 /nfs/dbraw/zinc/92/19/00/345921900.db2.gz VJBLOAJEFOAHRP-UHFFFAOYSA-N -1 3 240.234 2.378 10 0 BEAEHM CCCN1CCc2c(C(=O)[O-])csc2C1 ZINC000149113636 346084725 /nfs/dbraw/zinc/08/47/25/346084725.db2.gz PKUNBCOKOSVZNQ-UHFFFAOYSA-N -1 3 225.313 2.214 10 0 BEAEHM Cn1nc(-c2ccoc2Cl)[n-]c1=S 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538096501 /nfs/dbraw/zinc/09/65/01/538096501.db2.gz WHPPJVBXNCANHM-DTWKUNHWSA-N -1 3 237.303 2.275 10 0 BEAEHM Cc1c[nH]cc1-c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266391 538096162 /nfs/dbraw/zinc/09/61/62/538096162.db2.gz SHYCPPILIZGKNW-UHFFFAOYSA-N -1 3 248.286 2.064 10 0 BEAEHM Cc1c[nH]cc1-c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266391 538096166 /nfs/dbraw/zinc/09/61/66/538096166.db2.gz SHYCPPILIZGKNW-UHFFFAOYSA-N -1 3 248.286 2.064 10 0 BEAEHM Cc1c[nH]cc1-c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266391 538096169 /nfs/dbraw/zinc/09/61/69/538096169.db2.gz SHYCPPILIZGKNW-UHFFFAOYSA-N -1 3 248.286 2.064 10 0 BEAEHM CC(C)(C)OC(=O)c1nn[n-]c1C1CCCC1 ZINC000725266590 538096210 /nfs/dbraw/zinc/09/62/10/538096210.db2.gz SCRCONXKENZROV-UHFFFAOYSA-N -1 3 237.303 2.418 10 0 BEAEHM CC(C)(C)OC(=O)c1[n-]nnc1C1CCCC1 ZINC000725266590 538096211 /nfs/dbraw/zinc/09/62/11/538096211.db2.gz SCRCONXKENZROV-UHFFFAOYSA-N -1 3 237.303 2.418 10 0 BEAEHM CC(C)(C)OC(=O)c1n[n-]nc1C1CCCC1 ZINC000725266590 538096214 /nfs/dbraw/zinc/09/62/14/538096214.db2.gz SCRCONXKENZROV-UHFFFAOYSA-N -1 3 237.303 2.418 10 0 BEAEHM CC1(C)CC[C@@H](c2nnn[n-]2)c2ccccc21 ZINC000095231381 350656555 /nfs/dbraw/zinc/65/65/55/350656555.db2.gz CIOVHYYMDHXXBB-SNVBAGLBSA-N -1 3 228.299 2.403 10 0 BEAEHM CC1(C)CC[C@@H](c2nn[n-]n2)c2ccccc21 ZINC000095231381 350656557 /nfs/dbraw/zinc/65/65/57/350656557.db2.gz CIOVHYYMDHXXBB-SNVBAGLBSA-N -1 3 228.299 2.403 10 0 BEAEHM Cc1ccccc1[C@H](c1nnn[n-]1)C(C)C ZINC000095344060 350658455 /nfs/dbraw/zinc/65/84/55/350658455.db2.gz XGKQZJFJSHATKU-LLVKDONJSA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1ccccc1[C@H](c1nn[n-]n1)C(C)C ZINC000095344060 350658458 /nfs/dbraw/zinc/65/84/58/350658458.db2.gz XGKQZJFJSHATKU-LLVKDONJSA-N -1 3 216.288 2.296 10 0 BEAEHM Cc1cc(Br)cc2c([O-])coc21 ZINC000063061382 350948598 /nfs/dbraw/zinc/94/85/98/350948598.db2.gz JYAVCPBMCTXGEG-UHFFFAOYSA-N -1 3 227.057 2.333 10 0 BEAEHM Nc1cc([O-])c(F)cc1OC(F)(F)F ZINC000307116555 351487424 /nfs/dbraw/zinc/48/74/24/351487424.db2.gz 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ZGINRHDCNSWJNN-UHFFFAOYSA-N -1 3 242.584 2.167 10 0 BEAEHM CCCNc1nc(C)cc(C)c1C(=O)[O-] ZINC000037978252 169296127 /nfs/dbraw/zinc/29/61/27/169296127.db2.gz RWLBOPFRTPFGBF-UHFFFAOYSA-N -1 3 208.261 2.219 10 0 BEAEHM O=c1[n-]ncc(OCC2CCCCC2)c1Cl ZINC000091366060 384123910 /nfs/dbraw/zinc/12/39/10/384123910.db2.gz OUQRQKLVQTUNJU-UHFFFAOYSA-N -1 3 242.706 2.382 10 0 BEAEHM CC(=O)c1c([O-])cc(C=O)cc1C(F)F ZINC000575669640 384456633 /nfs/dbraw/zinc/45/66/33/384456633.db2.gz GYQSNTMBKWTGHI-UHFFFAOYSA-N -1 3 214.167 2.345 10 0 BEAEHM COC(=O)c1cc([O-])c2cc(OC)ccc2c1 ZINC000082319713 384666729 /nfs/dbraw/zinc/66/67/29/384666729.db2.gz QMHLCBOFHMGNES-UHFFFAOYSA-N -1 3 232.235 2.341 10 0 BEAEHM Cc1ncc(CNCc2nc(C)ccc2[O-])s1 ZINC000105448438 384868160 /nfs/dbraw/zinc/86/81/60/384868160.db2.gz KZRDKBVMMQBDLJ-UHFFFAOYSA-N -1 3 249.339 2.150 10 0 BEAEHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081986 385134498 /nfs/dbraw/zinc/13/44/98/385134498.db2.gz JBYDMNVIUKEGAU-BDAKNGLRSA-N -1 3 241.237 2.136 10 0 BEAEHM O=c1cc(C(F)(F)F)nc(NC2CCCC2)[n-]1 ZINC000057342470 385189975 /nfs/dbraw/zinc/18/99/75/385189975.db2.gz YEUICCIHALUWCO-UHFFFAOYSA-N -1 3 247.220 2.143 10 0 BEAEHM Cc1ccccc1-c1cc(=O)[n-]c(C)n1 ZINC000044119472 385309083 /nfs/dbraw/zinc/30/90/83/385309083.db2.gz VEMGPMHEWGNAFE-UHFFFAOYSA-N -1 3 200.241 2.054 10 0 BEAEHM CCC[C@H]1C[C@@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000231694754 385814640 /nfs/dbraw/zinc/81/46/40/385814640.db2.gz NHBTYNXOQMHLBQ-ONGXEEELSA-N -1 3 249.310 2.319 10 0 BEAEHM CN(Cc1oncc1C(=O)[O-])C1CCCCC1 ZINC000077055640 385993063 /nfs/dbraw/zinc/99/30/63/385993063.db2.gz LNOLMNMFEKOABV-UHFFFAOYSA-N -1 3 238.287 2.137 10 0 BEAEHM COC(=O)Cc1cc(C)cc(Cl)c1[O-] ZINC000261219345 386014778 /nfs/dbraw/zinc/01/47/78/386014778.db2.gz MLKKESIJGBGSNC-UHFFFAOYSA-N -1 3 214.648 2.070 10 0 BEAEHM [O-]c1ccc(COCCF)c2cccnc12 ZINC000606304035 386073615 /nfs/dbraw/zinc/07/36/15/386073615.db2.gz MKURUAQYSQMFOK-UHFFFAOYSA-N -1 3 221.231 2.427 10 0 BEAEHM 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/nfs/dbraw/zinc/84/11/90/388841190.db2.gz SKXWCQOPFHIKRZ-ONGXEEELSA-N -1 3 219.284 2.311 10 0 BEAEHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc([O-])c2F)O1 ZINC000129610381 388858984 /nfs/dbraw/zinc/85/89/84/388858984.db2.gz LPPREUAINHVPAZ-XCBNKYQSSA-N -1 3 239.246 2.037 10 0 BEAEHM COc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000335944078 134018971 /nfs/dbraw/zinc/01/89/71/134018971.db2.gz MERCDMOYNNOJLP-BXKDBHETSA-N -1 3 247.294 2.025 10 0 BEAEHM CC1(C)CCN(Cc2ncccc2C(=O)[O-])C1 ZINC000304197399 411352326 /nfs/dbraw/zinc/35/23/26/411352326.db2.gz XQYYWBMIMBNNIS-UHFFFAOYSA-N -1 3 234.299 2.012 10 0 BEAEHM CCN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000037181936 170138488 /nfs/dbraw/zinc/13/84/88/170138488.db2.gz YRGUDAYXEJOJQV-SECBINFHSA-N -1 3 213.664 2.075 10 0 BEAEHM CCNc1ccc(-c2cc(OC)ccc2[O-])nn1 ZINC000054931177 170172910 /nfs/dbraw/zinc/17/29/10/170172910.db2.gz RIFYKDLMBGQXGY-UHFFFAOYSA-N -1 3 245.282 2.290 10 0 BEAEHM CCOC(=O)c1nnc(-c2cc(C)ccc2C)[n-]1 ZINC000103923532 170305806 /nfs/dbraw/zinc/30/58/06/170305806.db2.gz RKMDIMKAYJTDQV-UHFFFAOYSA-N -1 3 245.282 2.265 10 0 BEAEHM CCOC(=O)c1nc(-c2cc(C)ccc2C)n[n-]1 ZINC000103923532 170305807 /nfs/dbraw/zinc/30/58/07/170305807.db2.gz RKMDIMKAYJTDQV-UHFFFAOYSA-N -1 3 245.282 2.265 10 0 BEAEHM CC[C@H](C)C(=O)c1c(O)cc([O-])cc1O ZINC000000900231 171256620 /nfs/dbraw/zinc/25/66/20/171256620.db2.gz ASABIRFQGVWRDC-LURJTMIESA-N -1 3 210.229 2.032 10 0 in-vitro BEAEHM CC[C@H](C)N[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000038066103 171347248 /nfs/dbraw/zinc/34/72/48/171347248.db2.gz VORHLZAMSMSDAD-CPCISQLKSA-N -1 3 243.253 2.479 10 0 BEAEHM CCn1ccnc1Nc1ccc(C(=O)[O-])cc1 ZINC000050607611 172227611 /nfs/dbraw/zinc/22/76/11/172227611.db2.gz DPUDCAKFGKVGAC-UHFFFAOYSA-N -1 3 231.255 2.345 10 0 BEAEHM CN(C)C(=O)c1cc([O-])cc(C(C)(C)C)c1 ZINC000095711441 172388943 /nfs/dbraw/zinc/38/89/43/172388943.db2.gz VNAFIWWPKQYQHG-UHFFFAOYSA-N -1 3 221.300 2.392 10 0 BEAEHM COC(=O)/C=C/c1cc(Cl)ccc1[O-] ZINC000038293442 173496516 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/nfs/dbraw/zinc/39/75/96/177397596.db2.gz KDUYNUQZWRFSDC-ZJUUUORDSA-N -1 3 235.283 2.146 10 0 BEAEHM CC(C)c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000238212744 582743418 /nfs/dbraw/zinc/74/34/18/582743418.db2.gz LIWYOFDDIGPLNQ-UHFFFAOYSA-N -1 3 202.257 2.289 10 0 BEAEHM CCNCc1occ(C(F)F)c1C(=O)[O-] ZINC000675051957 566375995 /nfs/dbraw/zinc/37/59/95/566375995.db2.gz YMHPPISSNUAKMC-UHFFFAOYSA-N -1 3 219.187 2.025 10 0 BEAEHM CC(C(=O)C(C)(F)F)=C([O-])[C@@H]1C[C@@H]1C ZINC000321702734 566482683 /nfs/dbraw/zinc/48/26/83/566482683.db2.gz DKTSUKDJLDDREX-RRKCRQDMSA-N -1 3 204.216 2.072 10 0 BEAEHM CC(C(=O)C(C)(F)F)=C([O-])[C@H]1CC1(C)C ZINC000397573379 583102359 /nfs/dbraw/zinc/10/23/59/583102359.db2.gz FLEDBZXCPZHXTL-NKWVEPMBSA-N -1 3 218.243 2.462 10 0 BEAEHM O=C([N-][C@@H]1CCCC[C@@H]1C(F)(F)F)C(F)F ZINC000220479194 592312369 /nfs/dbraw/zinc/31/23/69/592312369.db2.gz WOILFZGIHUSYOL-NTSWFWBYSA-N -1 3 245.191 2.489 10 0 BEAEHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2ccsc2)n1 ZINC000700469554 711993921 /nfs/dbraw/zinc/99/39/21/711993921.db2.gz QEKNYASEZWFSGY-VIFPVBQESA-N -1 3 249.339 2.403 10 0 BEAEHM O=C([O-])c1ccoc1CN1CCCC2(CC2)C1 ZINC000695118318 976780267 /nfs/dbraw/zinc/78/02/67/976780267.db2.gz GHOCQBRXSYZGAQ-UHFFFAOYSA-N -1 3 235.283 2.354 10 0 BEAEHM Cc1cc(F)ccc1-c1cnnc(=S)[n-]1 ZINC000033877196 178080948 /nfs/dbraw/zinc/08/09/48/178080948.db2.gz RUVNVCNMFIVNFZ-UHFFFAOYSA-N -1 3 221.260 2.275 10 0 BEAEHM CCN(CC)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163614759 538929682 /nfs/dbraw/zinc/92/96/82/538929682.db2.gz CVDPDAPEWOAUMU-UHFFFAOYSA-N -1 3 225.263 2.366 10 0 BEAEHM Cc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000039597098 178197847 /nfs/dbraw/zinc/19/78/47/178197847.db2.gz NANPUEKXYQNXPF-UHFFFAOYSA-N -1 3 206.241 2.444 10 0 BEAEHM Cc1cc([C@@H](C)N([O-])C(N)=O)c(C)s1 ZINC000013762882 178220953 /nfs/dbraw/zinc/22/09/53/178220953.db2.gz RVEUAFACUNFOMT-ZCFIWIBFSA-N -1 3 214.290 2.196 10 0 BEAEHM Cc1cccc(-c2nc3c(c(=O)[n-]2)CCC3)c1 ZINC000042401104 361997268 /nfs/dbraw/zinc/99/72/68/361997268.db2.gz FSZDJRGKEKKIOQ-UHFFFAOYSA-N -1 3 226.279 2.234 10 0 BEAEHM CCOC(=O)c1cc([O-])c2ccncc2c1 ZINC000380869036 259326706 /nfs/dbraw/zinc/32/67/06/259326706.db2.gz GFJLOLPFQDRLFL-UHFFFAOYSA-N -1 3 217.224 2.117 10 0 BEAEHM COc1c2ccoc2c([O-])c2oc(=O)ccc12 ZINC000013322992 342865848 /nfs/dbraw/zinc/86/58/48/342865848.db2.gz MVJHUMZXIJPVHV-UHFFFAOYSA-N -1 3 232.191 2.253 10 0 endogenous,in-man BEAEHM COC[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000103520828 398321797 /nfs/dbraw/zinc/32/17/97/398321797.db2.gz LBKRUGRPOJZUBT-SSDOTTSWSA-N -1 3 243.690 2.267 10 0 BEAEHM O=C([O-])c1ccccc1NCCN1CCCCC1 ZINC000050913372 343221309 /nfs/dbraw/zinc/22/13/09/343221309.db2.gz GGWWTYDQFCZUEL-UHFFFAOYSA-N -1 3 248.326 2.283 10 0 BEAEHM CCc1cc(=O)c2c([O-])cc(OC)cc2o1 ZINC000039098310 343382435 /nfs/dbraw/zinc/38/24/35/343382435.db2.gz OCZDBBLBUHBUAH-UHFFFAOYSA-N -1 3 220.224 2.070 10 0 BEAEHM CCc1cc([O-])c2c(=O)cc(OC)cc-2o1 ZINC000039098310 343382438 /nfs/dbraw/zinc/38/24/38/343382438.db2.gz OCZDBBLBUHBUAH-UHFFFAOYSA-N -1 3 220.224 2.070 10 0 BEAEHM CCCc1cc(=O)[n-]c(NC2CCCC2)n1 ZINC000041603747 343422211 /nfs/dbraw/zinc/42/22/11/343422211.db2.gz JAKPWUJMZNWFCB-UHFFFAOYSA-N -1 3 221.304 2.077 10 0 BEAEHM COC(=O)Cc1cccc([O-])c1C(F)(F)F ZINC000309426834 343436573 /nfs/dbraw/zinc/43/65/73/343436573.db2.gz DGXDYZWDIBJJCV-UHFFFAOYSA-N -1 3 234.173 2.127 10 0 BEAEHM CCCOc1cccc2c([O-])c(C)oc21 ZINC000043633228 343631941 /nfs/dbraw/zinc/63/19/41/343631941.db2.gz WXMNQZILZDEPNC-QMMMGPOBSA-N -1 3 206.241 2.439 10 0 BEAEHM O=c1cc(CCc2ccccc2)[nH]c(=S)[n-]1 ZINC000309366148 343790531 /nfs/dbraw/zinc/79/05/31/343790531.db2.gz OVJRYRSIWUSVPL-UHFFFAOYSA-N -1 3 232.308 2.256 10 0 BEAEHM COC(=O)c1cnc(-c2ccc(C)s2)[n-]1 ZINC000051170995 346976341 /nfs/dbraw/zinc/97/63/41/346976341.db2.gz SMDFDEAJGSAUMR-UHFFFAOYSA-N -1 3 222.269 2.233 10 0 BEAEHM COC(=O)c1c[n-]c(-c2ccc(C)s2)n1 ZINC000051170995 346976342 /nfs/dbraw/zinc/97/63/42/346976342.db2.gz SMDFDEAJGSAUMR-UHFFFAOYSA-N -1 3 222.269 2.233 10 0 BEAEHM O=c1cc(Cc2ccccc2Cl)nc[n-]1 ZINC000409432857 343828200 /nfs/dbraw/zinc/82/82/00/343828200.db2.gz YIMDOCYTMUULLQ-UHFFFAOYSA-N -1 3 220.659 2.426 10 0 BEAEHM Cc1oncc1-c1cc(=O)[n-]c(C2CC2)n1 ZINC000409430054 343807113 /nfs/dbraw/zinc/80/71/13/343807113.db2.gz KOMZWIARJLZLSH-UHFFFAOYSA-N -1 3 217.228 2.023 10 0 BEAEHM CCc1[n-]nc(C2CCCC2)c1C(=O)OC ZINC000409440590 343853085 /nfs/dbraw/zinc/85/30/85/343853085.db2.gz NKMMHEQDNBPGGX-UHFFFAOYSA-N -1 3 222.288 2.416 10 0 BEAEHM CCc1n[n-]c(C2CCCC2)c1C(=O)OC ZINC000409440590 343853087 /nfs/dbraw/zinc/85/30/87/343853087.db2.gz NKMMHEQDNBPGGX-UHFFFAOYSA-N -1 3 222.288 2.416 10 0 BEAEHM COC(=O)c1c(C)[n-]nc1C1CCCC1 ZINC000409441968 343856865 /nfs/dbraw/zinc/85/68/65/343856865.db2.gz VTWQXJNYQSCOOW-UHFFFAOYSA-N -1 3 208.261 2.162 10 0 BEAEHM COC(=O)c1c(C)n[n-]c1C1CCCC1 ZINC000409441968 343856867 /nfs/dbraw/zinc/85/68/67/343856867.db2.gz VTWQXJNYQSCOOW-UHFFFAOYSA-N -1 3 208.261 2.162 10 0 BEAEHM C[C@@H]1/C(=C\C(=O)[O-])CCN1Cc1ccccc1 ZINC000309904652 343975440 /nfs/dbraw/zinc/97/54/40/343975440.db2.gz PVXBEGUDSPVQEG-NASPGAHYSA-N -1 3 231.295 2.292 10 0 BEAEHM C[C@H]1/C(=C\C(=O)[O-])CCN1Cc1ccccc1 ZINC000309904650 343975446 /nfs/dbraw/zinc/97/54/46/343975446.db2.gz PVXBEGUDSPVQEG-KWJWQAOWSA-N -1 3 231.295 2.292 10 0 BEAEHM COC(=O)c1c(C)ccc(Cl)c1[O-] ZINC000143446193 344407638 /nfs/dbraw/zinc/40/76/38/344407638.db2.gz NGEQJWUEOSLUOC-UHFFFAOYSA-N -1 3 200.621 2.141 10 0 BEAEHM [O-]c1ccc([C@@H]2NCCS2)cc1Cl ZINC000050522979 344706380 /nfs/dbraw/zinc/70/63/80/344706380.db2.gz VQCINHIXIHFANQ-SECBINFHSA-N -1 3 215.705 2.381 10 0 BEAEHM CC(C)(c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000408494322 344840613 /nfs/dbraw/zinc/84/06/13/344840613.db2.gz DTMOYZFASRABOZ-UHFFFAOYSA-N -1 3 222.679 2.179 10 0 BEAEHM CC(C)(c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000408494322 344840614 /nfs/dbraw/zinc/84/06/14/344840614.db2.gz DTMOYZFASRABOZ-UHFFFAOYSA-N -1 3 222.679 2.179 10 0 BEAEHM [O-]c1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238670409 345108267 /nfs/dbraw/zinc/10/82/67/345108267.db2.gz MYVKITLIFVGXPF-UHFFFAOYSA-N -1 3 213.542 2.339 10 0 BEAEHM O=c1cc(Cl)[n-]c(OC(F)(F)F)c1 ZINC000238694234 345111752 /nfs/dbraw/zinc/11/17/52/345111752.db2.gz KEIIQZVHCIRPMP-UHFFFAOYSA-N -1 3 213.542 2.339 10 0 BEAEHM CN1C[C@@H](C(=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000250650811 345484958 /nfs/dbraw/zinc/48/49/58/345484958.db2.gz WQDFALBSBODLEE-ONGXEEELSA-N -1 3 239.702 2.417 10 0 BEAEHM c1cc2cc(-c3nnn[n-]3)ccc2s1 ZINC000095236603 345683709 /nfs/dbraw/zinc/68/37/09/345683709.db2.gz FLXAZIXNCHYTJH-UHFFFAOYSA-N -1 3 202.242 2.081 10 0 BEAEHM c1cc2cc(-c3nn[n-]n3)ccc2s1 ZINC000095236603 345683711 /nfs/dbraw/zinc/68/37/11/345683711.db2.gz FLXAZIXNCHYTJH-UHFFFAOYSA-N -1 3 202.242 2.081 10 0 BEAEHM c1ccc(-c2nnn[n-]2)c(OCC2CCCC2)c1 ZINC000095236981 345684081 /nfs/dbraw/zinc/68/40/81/345684081.db2.gz BVPZPPZGYYGODJ-UHFFFAOYSA-N -1 3 244.298 2.436 10 0 BEAEHM c1ccc(-c2nn[n-]n2)c(OCC2CCCC2)c1 ZINC000095236981 345684082 /nfs/dbraw/zinc/68/40/82/345684082.db2.gz BVPZPPZGYYGODJ-UHFFFAOYSA-N -1 3 244.298 2.436 10 0 BEAEHM Fc1ccccc1C1(c2nnn[n-]2)CCCC1 ZINC000095237197 345684382 /nfs/dbraw/zinc/68/43/82/345684382.db2.gz WLZGGOSGJSSGOH-UHFFFAOYSA-N -1 3 232.262 2.199 10 0 BEAEHM Fc1ccccc1C1(c2nn[n-]n2)CCCC1 ZINC000095237197 345684383 /nfs/dbraw/zinc/68/43/83/345684383.db2.gz WLZGGOSGJSSGOH-UHFFFAOYSA-N -1 3 232.262 2.199 10 0 BEAEHM O=c1cc(-c2ccccc2F)[nH]c(=S)[n-]1 ZINC000084122957 345922297 /nfs/dbraw/zinc/92/22/97/345922297.db2.gz GNASUWGMVPIVMM-UHFFFAOYSA-N -1 3 222.244 2.239 10 0 BEAEHM Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]32)c1[O-] ZINC000336319544 179012266 /nfs/dbraw/zinc/01/22/66/179012266.db2.gz AOKVRMWCIUZWFI-CMPLNLGQSA-N -1 3 231.295 2.325 10 0 BEAEHM Cc1cc(Br)c([O-])cc1N ZINC000162012881 346506405 /nfs/dbraw/zinc/50/64/05/346506405.db2.gz HEUVMTGKWXAQCC-UHFFFAOYSA-N -1 3 202.051 2.045 10 0 BEAEHM Cc1cccc(Nc2ncccc2[O-])n1 ZINC000028526067 179159864 /nfs/dbraw/zinc/15/98/64/179159864.db2.gz AODXNCRHTIKLDN-UHFFFAOYSA-N -1 3 201.229 2.234 10 0 BEAEHM CC(C)(C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000036755084 187392592 /nfs/dbraw/zinc/39/25/92/187392592.db2.gz YBYHRGZOBGFPDX-UHFFFAOYSA-N -1 3 229.283 2.129 10 0 BEAEHM C[C@@H]1CCCCCN1Cc1oncc1C(=O)[O-] ZINC000304672747 350159441 /nfs/dbraw/zinc/15/94/41/350159441.db2.gz XOTLIPSGSWNGFP-SECBINFHSA-N -1 3 238.287 2.137 10 0 BEAEHM O=c1nc2ccc(F)cc2c(C(F)(F)F)[n-]1 ZINC000039150645 350174146 /nfs/dbraw/zinc/17/41/46/350174146.db2.gz VMSSFBRZNHOVRS-UHFFFAOYSA-N -1 3 232.136 2.493 10 0 BEAEHM Cc1ncc(-c2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000044119400 180121770 /nfs/dbraw/zinc/12/17/70/180121770.db2.gz WDSWHAPUIOLUJX-UHFFFAOYSA-N -1 3 233.296 2.079 10 0 BEAEHM CCSCC(=O)c1cc(F)ccc1[O-] ZINC000037353133 362968600 /nfs/dbraw/zinc/96/86/00/362968600.db2.gz NTVIUDIPMMHTFZ-UHFFFAOYSA-N -1 3 214.261 2.467 10 0 BEAEHM CCN1CCO[C@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616594097 350593034 /nfs/dbraw/zinc/59/30/34/350593034.db2.gz NILRUVAKKBXJKF-ZDUSSCGKSA-N -1 3 249.310 2.168 10 0 BEAEHM CC1(C)CCC(=C([O-])C(F)(F)F)C1=O ZINC000125055394 538097614 /nfs/dbraw/zinc/09/76/14/538097614.db2.gz SODSHKKWTDYZSA-YFKPBYRVSA-N -1 3 208.179 2.123 10 0 BEAEHM CC1(C)CCC(C(=O)C(F)(F)F)=C1[O-] ZINC000125055394 538097616 /nfs/dbraw/zinc/09/76/16/538097616.db2.gz SODSHKKWTDYZSA-YFKPBYRVSA-N -1 3 208.179 2.123 10 0 BEAEHM CC1(C)CC[C@H](c2nnn[n-]2)c2ccccc21 ZINC000095231380 350656611 /nfs/dbraw/zinc/65/66/11/350656611.db2.gz CIOVHYYMDHXXBB-JTQLQIEISA-N -1 3 228.299 2.403 10 0 BEAEHM CC1(C)CC[C@H](c2nn[n-]n2)c2ccccc21 ZINC000095231380 350656612 /nfs/dbraw/zinc/65/66/12/350656612.db2.gz CIOVHYYMDHXXBB-JTQLQIEISA-N -1 3 228.299 2.403 10 0 BEAEHM CCCc1ccc(-c2cc(=O)[n-]cn2)cc1 ZINC000233388433 350676105 /nfs/dbraw/zinc/67/61/05/350676105.db2.gz JVCYNRRRGKGYLM-UHFFFAOYSA-N -1 3 214.268 2.389 10 0 BEAEHM [O-]c1csc(N2CCC=C(Cl)C2)n1 ZINC000404390977 351422857 /nfs/dbraw/zinc/42/28/57/351422857.db2.gz MIMXUNHKDKBMNY-UHFFFAOYSA-N -1 3 216.693 2.182 10 0 BEAEHM FC1(F)CCCC[C@@H]1c1n[n-]c(=S)[nH]1 ZINC000307410468 352586547 /nfs/dbraw/zinc/58/65/47/352586547.db2.gz FDXOQHGRZGWVGW-RXMQYKEDSA-N -1 3 219.260 2.386 10 0 BEAEHM CC1(C)CCN(c2nc([O-])cs2)CC1 ZINC000307500345 352627376 /nfs/dbraw/zinc/62/73/76/352627376.db2.gz LZZHRVKAFPMGBE-UHFFFAOYSA-N -1 3 212.318 2.475 10 0 BEAEHM Cn1ccc(C=C([O-])c2sccc2F)n1 ZINC000307110759 353055337 /nfs/dbraw/zinc/05/53/37/353055337.db2.gz MNRXLPNLOQOWLK-UHFFFAOYSA-N -1 3 224.260 2.046 10 0 BEAEHM CCN(c1nc([O-])cs1)C1CCCCC1 ZINC000307752395 353128331 /nfs/dbraw/zinc/12/83/31/353128331.db2.gz RMLMGUCIIOCWED-UHFFFAOYSA-N -1 3 226.345 2.270 10 0 BEAEHM CC(C)(C)c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000309283262 538111178 /nfs/dbraw/zinc/11/11/78/538111178.db2.gz KIXDFDWTINWDDH-UHFFFAOYSA-N -1 3 216.284 2.463 10 0 BEAEHM CCCCc1c(CC)[nH]c(=S)[n-]c1=O ZINC000033878091 188182268 /nfs/dbraw/zinc/18/22/68/188182268.db2.gz CVUUUVXCTJCXGC-UHFFFAOYSA-N -1 3 212.318 2.337 10 0 BEAEHM O=c1cc(COCc2ccccc2)[nH]c(=S)[n-]1 ZINC000144764442 356480449 /nfs/dbraw/zinc/48/04/49/356480449.db2.gz QLGRMRFIOYIVDA-UHFFFAOYSA-N -1 3 248.307 2.149 10 0 BEAEHM CCNCc1occ(C(C)C)c1C(=O)[O-] ZINC000675051625 538474698 /nfs/dbraw/zinc/47/46/98/538474698.db2.gz PSUOUQRQFGTLEL-UHFFFAOYSA-N -1 3 211.261 2.211 10 0 BEAEHM CCOC(=O)c1nn[n-]c1[C@@H](C)[C@H](C)CC ZINC000685952926 538895514 /nfs/dbraw/zinc/89/55/14/538895514.db2.gz HENYVYZDTCBJGH-SFYZADRCSA-N -1 3 225.292 2.131 10 0 BEAEHM CCOC(=O)c1[n-]nnc1[C@@H](C)[C@H](C)CC ZINC000685952926 538895515 /nfs/dbraw/zinc/89/55/15/538895515.db2.gz HENYVYZDTCBJGH-SFYZADRCSA-N -1 3 225.292 2.131 10 0 BEAEHM CCOC(=O)c1n[n-]nc1[C@@H](C)[C@H](C)CC ZINC000685952926 538895516 /nfs/dbraw/zinc/89/55/16/538895516.db2.gz HENYVYZDTCBJGH-SFYZADRCSA-N -1 3 225.292 2.131 10 0 BEAEHM CCCc1cc(=O)oc2cc([O-])c(OC)cc12 ZINC000584626375 358295779 /nfs/dbraw/zinc/29/57/79/358295779.db2.gz VHZJQMADTZTUSR-UHFFFAOYSA-N -1 3 234.251 2.460 10 0 BEAEHM Nc1ncc(C23CC4CC(CC(C4)C2)C3)c(=O)[n-]1 ZINC000584634299 358318521 /nfs/dbraw/zinc/31/85/21/358318521.db2.gz XBFAEJNFDQECAU-UHFFFAOYSA-N -1 3 245.326 2.063 10 0 BEAEHM [O-]C(=C[C@H](O)C(F)(F)F)c1ccsc1 ZINC000584634693 358318929 /nfs/dbraw/zinc/31/89/29/358318929.db2.gz SOUFDMATEYGUOQ-ZETCQYMHSA-N -1 3 224.203 2.244 10 0 BEAEHM C[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)O1 ZINC000129609944 358589428 /nfs/dbraw/zinc/58/94/28/358589428.db2.gz LPPREUAINHVPAZ-GMSGAONNSA-N -1 3 239.246 2.037 10 0 BEAEHM C[C@@H]1CCN(c2nc([O-])cs2)[C@@H](C)C1 ZINC000306148882 358758898 /nfs/dbraw/zinc/75/88/98/358758898.db2.gz CYPCWOZJJBRYMI-SFYZADRCSA-N -1 3 212.318 2.474 10 0 BEAEHM O=C(c1cc([S-])cs1)N1CC=CC1 ZINC000306276261 359507037 /nfs/dbraw/zinc/50/70/37/359507037.db2.gz LUDQUHDPBLPIHR-UHFFFAOYSA-N -1 3 211.311 2.049 10 0 BEAEHM Cc1oc2c(cc(Cl)cc2F)c1[O-] ZINC000306325532 359608667 /nfs/dbraw/zinc/60/86/67/359608667.db2.gz HQTFBKMCPPVCCD-BYPYZUCNSA-N -1 3 200.596 2.443 10 0 BEAEHM C[C@H]1CCN(c2nc([O-])cs2)C[C@H]1C ZINC000306449882 360018682 /nfs/dbraw/zinc/01/86/82/360018682.db2.gz YMWCTIXHKYLMDK-JGVFFNPUSA-N -1 3 212.318 2.331 10 0 BEAEHM NC(=S)c1cc2ccccc2cc1[O-] ZINC000083344000 181320132 /nfs/dbraw/zinc/32/01/32/181320132.db2.gz AFRZKNSEXIZBGY-UHFFFAOYSA-N -1 3 203.266 2.180 10 0 BEAEHM Fc1ccc(-c2nc(Cl)n[n-]2)cc1F ZINC000070584163 361573579 /nfs/dbraw/zinc/57/35/79/361573579.db2.gz DAPCPXCTIYNPIH-UHFFFAOYSA-N -1 3 215.590 2.403 10 0 BEAEHM Cc1oc2c(ccc(Cl)c2F)c1[O-] ZINC000130678479 364026701 /nfs/dbraw/zinc/02/67/01/364026701.db2.gz VXIPFJBCSBXQJD-BYPYZUCNSA-N -1 3 200.596 2.443 10 0 BEAEHM COc1ccc2c[n-]c(=O)nc2c1C(C)C ZINC000147366224 325755433 /nfs/dbraw/zinc/75/54/33/325755433.db2.gz BICUCIXLXWVJKG-UHFFFAOYSA-N -1 3 218.256 2.055 10 0 BEAEHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(C)(C)C ZINC000112307697 368869931 /nfs/dbraw/zinc/86/99/31/368869931.db2.gz YUDJPVLUXGMIAF-MRVPVSSYSA-N -1 3 246.314 2.122 10 0 BEAEHM Cc1nc(CNCc2nc(C)ccc2[O-])cs1 ZINC000112716722 370348109 /nfs/dbraw/zinc/34/81/09/370348109.db2.gz XJZLJVPDAPSVLM-UHFFFAOYSA-N -1 3 249.339 2.150 10 0 BEAEHM Cc1cc([N-]C(=O)C(C)(C)Br)on1 ZINC000162664502 371742838 /nfs/dbraw/zinc/74/28/38/371742838.db2.gz CSPJRKNBYXOOAE-UHFFFAOYSA-N -1 3 247.092 2.095 10 0 BEAEHM O=c1cc(NCc2ccccc2)nc(C2CC2)[n-]1 ZINC000163563339 372012109 /nfs/dbraw/zinc/01/21/09/372012109.db2.gz ZMZVCBHHHBCUKG-UHFFFAOYSA-N -1 3 241.294 2.259 10 0 BEAEHM O=C(Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000039348463 182071034 /nfs/dbraw/zinc/07/10/34/182071034.db2.gz XBGOJDYCSPCOPX-UHFFFAOYSA-N -1 3 236.658 2.125 10 0 BEAEHM [O-]c1cccc(N2CCC[C@@H]2CO)c1Cl ZINC000145820341 183151793 /nfs/dbraw/zinc/15/17/93/183151793.db2.gz CXROCNOZAXIEJM-MRVPVSSYSA-N -1 3 227.691 2.007 10 0 BEAEHM Cc1nc2c(n[n-]c2C(F)(F)F)c(Cl)n1 ZINC000089212052 383946575 /nfs/dbraw/zinc/94/65/75/383946575.db2.gz RWZWGRUZODKFJL-UHFFFAOYSA-N -1 3 236.584 2.334 10 0 BEAEHM COC(=O)c1cccc2nc(C(F)(F)F)[n-]c21 ZINC000038954249 384097423 /nfs/dbraw/zinc/09/74/23/384097423.db2.gz ITULVXSDJPFSPQ-UHFFFAOYSA-N -1 3 244.172 2.368 10 0 BEAEHM COC(=O)c1cccc2[n-]c(C(F)(F)F)nc21 ZINC000038954249 384097425 /nfs/dbraw/zinc/09/74/25/384097425.db2.gz ITULVXSDJPFSPQ-UHFFFAOYSA-N -1 3 244.172 2.368 10 0 BEAEHM O=c1[n-]ncc(OCc2ccccc2)c1Cl ZINC000091366277 384123543 /nfs/dbraw/zinc/12/35/43/384123543.db2.gz BTFBGGIHXHXQNS-UHFFFAOYSA-N -1 3 236.658 2.002 10 0 BEAEHM CCC[C@@H]1C[C@H]1NC(=O)c1c([O-])cccc1O ZINC000092123627 384165668 /nfs/dbraw/zinc/16/56/68/384165668.db2.gz BEFMMKUEPQQYJZ-RKDXNWHRSA-N -1 3 235.283 2.016 10 0 BEAEHM CCCCC(=O)c1c(O)cc([O-])cc1O ZINC000014817882 384501498 /nfs/dbraw/zinc/50/14/98/384501498.db2.gz HPBAQDWUBZVAMF-UHFFFAOYSA-N -1 3 210.229 2.176 10 0 BEAEHM Cc1ccc(NC(=O)C[C@H](O)C(C)C)c([O-])c1 ZINC000122569654 384491099 /nfs/dbraw/zinc/49/10/99/384491099.db2.gz SATZQKKYFUCBEM-NSHDSACASA-N -1 3 237.299 2.046 10 0 BEAEHM Cc1cc(C)c2c(N)c(C(=O)[O-])cnc2c1 ZINC000047913055 384669077 /nfs/dbraw/zinc/66/90/77/384669077.db2.gz OOANNWDPLCWGDS-UHFFFAOYSA-N -1 3 216.240 2.132 10 0 BEAEHM CCOC(=O)c1cc([O-])c(OC)c(Cl)c1 ZINC000575700583 384740448 /nfs/dbraw/zinc/74/04/48/384740448.db2.gz MOKRYFVYLFILFF-UHFFFAOYSA-N -1 3 230.647 2.231 10 0 BEAEHM COC(=O)c1c(C)ccc([O-])c1Cl ZINC000575713154 384855942 /nfs/dbraw/zinc/85/59/42/384855942.db2.gz SSAIMDIUUBGINT-UHFFFAOYSA-N -1 3 200.621 2.141 10 0 BEAEHM CC[C@@H](C)CN1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197704 385608430 /nfs/dbraw/zinc/60/84/30/385608430.db2.gz JLZYPWPULJMKOW-ZJUUUORDSA-N -1 3 238.335 2.083 10 0 BEAEHM COC(=O)c1c([O-])c(F)ccc1Br ZINC000261164559 386009890 /nfs/dbraw/zinc/00/98/90/386009890.db2.gz YCFPKMLDAJDSGW-UHFFFAOYSA-N -1 3 249.035 2.080 10 0 BEAEHM Fc1c[n-]c(=S)nc1-c1cncs1 ZINC000575578079 386203401 /nfs/dbraw/zinc/20/34/01/386203401.db2.gz YCYHDIJCIFDRQP-UHFFFAOYSA-N -1 3 213.262 2.028 10 0 BEAEHM CCc1ccc(C(=O)N[C@H]2C[C@@H]2C)c([O-])c1 ZINC000190998065 386194839 /nfs/dbraw/zinc/19/48/39/386194839.db2.gz FOBFQHCOEVGNSI-KWQFWETISA-N -1 3 219.284 2.093 10 0 BEAEHM C[C@@H]1C[C@@]1(C)c1o[n-]c(=N)c1Br ZINC000575583587 387058211 /nfs/dbraw/zinc/05/82/11/387058211.db2.gz OHSYOMVIURQSKR-SPGJFGJESA-N -1 3 231.093 2.147 10 0 BEAEHM COc1ccc([O-])c(Br)c1C(C)=O ZINC000575690382 387381120 /nfs/dbraw/zinc/38/11/20/387381120.db2.gz LXOQLSVSRINILL-UHFFFAOYSA-N -1 3 245.072 2.366 10 0 BEAEHM COc1c([O-])cc(Br)cc1C(C)=O ZINC000575690277 387381810 /nfs/dbraw/zinc/38/18/10/387381810.db2.gz GTCHPCKWKSPLKJ-UHFFFAOYSA-N -1 3 245.072 2.366 10 0 BEAEHM COc1ccc([O-])c(C(F)(F)F)c1OC ZINC000575671019 387336019 /nfs/dbraw/zinc/33/60/19/387336019.db2.gz FVRWDGYVRGLKDY-UHFFFAOYSA-N -1 3 222.162 2.428 10 0 BEAEHM COc1cc([O-])c(C(F)F)c(OC)c1 ZINC000575671072 387337370 /nfs/dbraw/zinc/33/73/70/387337370.db2.gz GYQDDVHMCWEAGN-UHFFFAOYSA-N -1 3 204.172 2.347 10 0 BEAEHM CCOC(=O)c1ccc(N)c([O-])c1C(F)(F)F ZINC000575724344 387437568 /nfs/dbraw/zinc/43/75/68/387437568.db2.gz BXPCSDSYEDEYCE-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM CCOC(=O)c1cc([O-])c(C(F)(F)F)cc1N ZINC000575724351 387438396 /nfs/dbraw/zinc/43/83/96/387438396.db2.gz CFVQRXUVALOBHA-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM Nc1ccc([O-])c(Cl)c1Br ZINC000575719936 387440359 /nfs/dbraw/zinc/44/03/59/387440359.db2.gz PIUCLFFCZLUIPK-UHFFFAOYSA-N -1 3 222.469 2.390 10 0 BEAEHM N=c1[n-]oc([C@@H]2C[C@@H]2C2CC2)c1Br ZINC000575521963 387443041 /nfs/dbraw/zinc/44/30/41/387443041.db2.gz UUVCISASDKYZSD-PHDIDXHHSA-N -1 3 243.104 2.363 10 0 BEAEHM CCOC(=O)c1c(N)ccc(C(F)(F)F)c1[O-] ZINC000575724959 387459607 /nfs/dbraw/zinc/45/96/07/387459607.db2.gz OPQCLXGCLXNNFD-UHFFFAOYSA-N -1 3 249.188 2.170 10 0 BEAEHM CSc1cc(C(C)=O)c([O-])cc1F ZINC000575704371 387401686 /nfs/dbraw/zinc/40/16/86/387401686.db2.gz VMIUKGSYKHIUSE-UHFFFAOYSA-N -1 3 200.234 2.456 10 0 BEAEHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@@H]21 ZINC000336593467 387419198 /nfs/dbraw/zinc/41/91/98/387419198.db2.gz RXHDDYHXGJGVAL-ONGXEEELSA-N -1 3 217.268 2.017 10 0 BEAEHM O=C1[N-]C(=O)C(=C2CCC(F)CC2)S1 ZINC000584623588 387502750 /nfs/dbraw/zinc/50/27/50/387502750.db2.gz NBBBVXDEATYDQV-UHFFFAOYSA-N -1 3 215.249 2.136 10 0 BEAEHM CCc1cc(C=O)c([O-])cc1OC(F)F ZINC000575654316 387897191 /nfs/dbraw/zinc/89/71/91/387897191.db2.gz YJNMBWJOKJMQDM-UHFFFAOYSA-N -1 3 216.183 2.369 10 0 BEAEHM CNc1cc(C)nc2c(C(=O)[O-])cccc12 ZINC000004226558 388395340 /nfs/dbraw/zinc/39/53/40/388395340.db2.gz SVPCSGPCPBLRDH-UHFFFAOYSA-N -1 3 216.240 2.283 10 0 BEAEHM N=c1[n-]cc(-c2nccc3ccccc32)o1 ZINC000575441871 388634421 /nfs/dbraw/zinc/63/44/21/388634421.db2.gz FVPWMAMYPBMSRJ-UHFFFAOYSA-N -1 3 211.224 2.302 10 0 BEAEHM Cc1cnc([C@H](C)NCc2nc(C)ccc2[O-])o1 ZINC000227555983 134383091 /nfs/dbraw/zinc/38/30/91/134383091.db2.gz JPBUELNEBGDMOO-JTQLQIEISA-N -1 3 247.298 2.243 10 0 BEAEHM CC(C)N[C@@](C)(C(=O)[O-])c1ccccc1F ZINC000037183064 167136144 /nfs/dbraw/zinc/13/61/44/167136144.db2.gz QFVTUEUFODOVHW-GFCCVEGCSA-N -1 3 225.263 2.124 10 0 BEAEHM CCN(C)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000228227933 487599286 /nfs/dbraw/zinc/59/92/86/487599286.db2.gz IJHVHAYRTNUVSR-UHFFFAOYSA-N -1 3 233.271 2.207 10 0 BEAEHM CC(C)N1Cc2cc(F)ccc2C[C@H]1C(=O)[O-] ZINC000016082862 167034683 /nfs/dbraw/zinc/03/46/83/167034683.db2.gz HUPVFYQYSOOCLF-LBPRGKRZSA-N -1 3 237.274 2.045 10 0 BEAEHM COC(=O)Cc1c([O-])cccc1C(F)(F)F ZINC000260365182 411404910 /nfs/dbraw/zinc/40/49/10/411404910.db2.gz MPGFSAJCKNJJMN-UHFFFAOYSA-N -1 3 234.173 2.127 10 0 BEAEHM CCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000037181948 170138153 /nfs/dbraw/zinc/13/81/53/170138153.db2.gz FKTNMLQJFYPJGN-SECBINFHSA-N -1 3 231.654 2.214 10 0 BEAEHM CCOC(=O)c1cc2[nH]ccc2c([O-])c1 ZINC000044699946 170292970 /nfs/dbraw/zinc/29/29/70/170292970.db2.gz WKJZWTBZQAKTBO-UHFFFAOYSA-N -1 3 205.213 2.050 10 0 BEAEHM CCOc1cccc([C@H](CC(=O)[O-])N(C)C)c1 ZINC000057528647 170585822 /nfs/dbraw/zinc/58/58/22/170585822.db2.gz ROJHFWUGUMOBEF-LBPRGKRZSA-N -1 3 237.299 2.163 10 0 BEAEHM CN(C)C(=O)c1c([O-])cccc1C(C)(C)C ZINC000095711385 172387170 /nfs/dbraw/zinc/38/71/70/172387170.db2.gz PEDGZJPYHOHIDG-UHFFFAOYSA-N -1 3 221.300 2.392 10 0 BEAEHM CN(C)C(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000095711414 172387291 /nfs/dbraw/zinc/38/72/91/172387291.db2.gz GXVZDQPBKXWAQW-UHFFFAOYSA-N -1 3 233.189 2.113 10 0 BEAEHM CN(C)C(=O)c1ccc([O-])c(CC2CC2)c1 ZINC000095711696 172389800 /nfs/dbraw/zinc/38/98/00/172389800.db2.gz XPEYDRMDSMITBX-UHFFFAOYSA-N -1 3 219.284 2.047 10 0 BEAEHM CN(C)C(=O)c1cccc(C(C)(C)C)c1[O-] ZINC000095711609 172390770 /nfs/dbraw/zinc/39/07/70/172390770.db2.gz ROJANDSFHSTLOO-UHFFFAOYSA-N -1 3 221.300 2.392 10 0 BEAEHM CNC(=O)c1cc(C(C)(C)C)ccc1[O-] ZINC000095712093 173309498 /nfs/dbraw/zinc/30/94/98/173309498.db2.gz LITASFSFGDXTRU-UHFFFAOYSA-N -1 3 207.273 2.049 10 0 BEAEHM COC1(c2cc([O-])cc(F)c2)CCOCC1 ZINC000036373401 174010426 /nfs/dbraw/zinc/01/04/26/174010426.db2.gz NBHXLSHYODTEPJ-UHFFFAOYSA-N -1 3 226.247 2.183 10 0 BEAEHM COc1ccc2cccc(CO[N-]C(C)=O)c2c1 ZINC000000021041 175225609 /nfs/dbraw/zinc/22/56/09/175225609.db2.gz LPLXHIFOETWXPZ-UHFFFAOYSA-N -1 3 245.278 2.416 10 0 BEAEHM C[C@@H]1CCN(Cc2cccnc2C(=O)[O-])[C@H](C)C1 ZINC000062753004 176175655 /nfs/dbraw/zinc/17/56/55/176175655.db2.gz BVQGRZSWLJSRPA-GHMZBOCLSA-N -1 3 248.326 2.400 10 0 BEAEHM C[C@H]1CCC(C(=O)C(F)(F)F)=C([O-])C1 ZINC000100196939 177196697 /nfs/dbraw/zinc/19/66/97/177196697.db2.gz ULAJSLQTYJJGEJ-WDSKDSINSA-N -1 3 208.179 2.123 10 0 BEAEHM C[C@H]1C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235618045 177347853 /nfs/dbraw/zinc/34/78/53/177347853.db2.gz PNNKIFOLXMKSNA-WKEGUHRASA-N -1 3 225.675 2.184 10 0 BEAEHM C[C@@H]1CC[C@H](C)CN1Cc1ncccc1C(=O)[O-] ZINC000302449690 487964539 /nfs/dbraw/zinc/96/45/39/487964539.db2.gz XGVFBNDKLHFNPG-WDEREUQCSA-N -1 3 248.326 2.400 10 0 BEAEHM CCc1oc(C(=O)[N-]c2nc(C)no2)cc1C ZINC000129486372 324954260 /nfs/dbraw/zinc/95/42/60/324954260.db2.gz DPHIPJGJPSJAEC-UHFFFAOYSA-N -1 3 235.243 2.094 10 0 BEAEHM CCc1cc(C)c(C(=O)[N-]c2nc(C)no2)o1 ZINC000135043856 325390434 /nfs/dbraw/zinc/39/04/34/325390434.db2.gz SVBCYGRCIQLFDC-UHFFFAOYSA-N -1 3 235.243 2.094 10 0 BEAEHM O=C([O-])[C@@H](CNCc1ccccc1)C(F)(F)F ZINC000211485175 487970818 /nfs/dbraw/zinc/97/08/18/487970818.db2.gz PNPWGVWBKFMOGZ-SECBINFHSA-N -1 3 247.216 2.039 10 0 BEAEHM CCc1noc([N-]Cc2ccc(C)o2)n1 ZINC000057353937 522901725 /nfs/dbraw/zinc/90/17/25/522901725.db2.gz XLJCZSNAUGQSJX-UHFFFAOYSA-N -1 3 207.233 2.146 10 0 BEAEHM CCNCc1occ(CC2CC2)c1C(=O)[O-] ZINC000675051910 566374755 /nfs/dbraw/zinc/37/47/55/566374755.db2.gz XGPWHJXXEFLDNG-UHFFFAOYSA-N -1 3 223.272 2.040 10 0 BEAEHM CC(C)CC(=O)NCCc1cc([O-])cc(F)c1 ZINC000725262697 566308642 /nfs/dbraw/zinc/30/86/42/566308642.db2.gz DBGFAQFIIFNQQS-UHFFFAOYSA-N -1 3 239.290 2.236 10 0 BEAEHM CC(C(=O)C(F)F)=C([O-])[C@@H]1CC1(C)C ZINC000397584191 583102543 /nfs/dbraw/zinc/10/25/43/583102543.db2.gz IKUFVYIDDLLKJX-RITPCOANSA-N -1 3 204.216 2.072 10 0 BEAEHM CC1(C)C[C@@H]1C(=O)C=C([O-])C(F)(F)F ZINC000397675607 583106198 /nfs/dbraw/zinc/10/61/98/583106198.db2.gz KJGOTASYDPVANX-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CC1(C)C[C@@H]1C([O-])=CC(=O)C(F)(F)F ZINC000397675607 583106199 /nfs/dbraw/zinc/10/61/99/583106199.db2.gz KJGOTASYDPVANX-RXMQYKEDSA-N -1 3 208.179 2.123 10 0 BEAEHM CO[N-]C(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000048962537 641704768 /nfs/dbraw/zinc/70/47/68/641704768.db2.gz BIVXWVROFZUTRM-NSHDSACASA-N -1 3 249.310 2.183 10 0 BEAEHM O=C([O-])c1ccc(CNC2CC(F)(F)C2)s1 ZINC000700020816 954861366 /nfs/dbraw/zinc/86/13/66/954861366.db2.gz AYSZVVZJFLRPCT-UHFFFAOYSA-N -1 3 247.266 2.334 10 0 BEAEHM Cc1ccc(CN(CC(=O)[O-])C2CC2)c(F)c1 ZINC000686308236 976104089 /nfs/dbraw/zinc/10/40/89/976104089.db2.gz PBXCAZRZHRZFRM-UHFFFAOYSA-N -1 3 237.274 2.183 10 0 BEAEHM CC[C@@H](C)CCNCc1ncc(C(=O)[O-])s1 ZINC000696259876 976810291 /nfs/dbraw/zinc/81/02/91/976810291.db2.gz VWDPQVAVIZDCBC-MRVPVSSYSA-N -1 3 242.344 2.367 10 0 BEAEHM O=C([O-])c1ccc(CN2C[C@H]3CCCC[C@H]32)nc1 ZINC000706938345 977369862 /nfs/dbraw/zinc/36/98/62/977369862.db2.gz DSEJNORJQGGQHQ-DGCLKSJQSA-N -1 3 246.310 2.154 10 0 BEAEHM O=C([O-])c1coc(CN2CCC23CCCC3)c1 ZINC000707307627 977382412 /nfs/dbraw/zinc/38/24/12/977382412.db2.gz QPDNVJRQVDDPHQ-UHFFFAOYSA-N -1 3 235.283 2.496 10 0 BEAEHM CCCC[C@@H](C)c1[n-]nnc1C(=O)OCC ZINC000685954559 538899236 /nfs/dbraw/zinc/89/92/36/538899236.db2.gz UGYIDGWHAHSWKF-MRVPVSSYSA-N -1 3 225.292 2.275 10 0 BEAEHM CCCC[C@@H](C)c1nn[n-]c1C(=O)OCC ZINC000685954559 538899237 /nfs/dbraw/zinc/89/92/37/538899237.db2.gz UGYIDGWHAHSWKF-MRVPVSSYSA-N -1 3 225.292 2.275 10 0 BEAEHM CCCC[C@@H](C)c1n[n-]nc1C(=O)OCC ZINC000685954559 538899239 /nfs/dbraw/zinc/89/92/39/538899239.db2.gz UGYIDGWHAHSWKF-MRVPVSSYSA-N -1 3 225.292 2.275 10 0 BEAEHM CC[C@H](C)c1[n-]nnc1C(=O)OC(C)(C)C ZINC000685953048 538896778 /nfs/dbraw/zinc/89/67/78/538896778.db2.gz IXSXQMJKGKRNJY-ZETCQYMHSA-N -1 3 225.292 2.274 10 0 BEAEHM CC[C@H](C)c1nn[n-]c1C(=O)OC(C)(C)C ZINC000685953048 538896779 /nfs/dbraw/zinc/89/67/79/538896779.db2.gz IXSXQMJKGKRNJY-ZETCQYMHSA-N -1 3 225.292 2.274 10 0 BEAEHM CC[C@H](C)c1n[n-]nc1C(=O)OC(C)(C)C ZINC000685953048 538896780 /nfs/dbraw/zinc/89/67/80/538896780.db2.gz IXSXQMJKGKRNJY-ZETCQYMHSA-N -1 3 225.292 2.274 10 0 BEAEHM CC[C@@H](CC(C)C)c1[n-]nnc1C(=O)OC ZINC000685953094 538896958 /nfs/dbraw/zinc/89/69/58/538896958.db2.gz FWHDGXPNQLRQNU-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM CC[C@@H](CC(C)C)c1nn[n-]c1C(=O)OC ZINC000685953094 538896959 /nfs/dbraw/zinc/89/69/59/538896959.db2.gz FWHDGXPNQLRQNU-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM CC[C@@H](CC(C)C)c1n[n-]nc1C(=O)OC ZINC000685953094 538896961 /nfs/dbraw/zinc/89/69/61/538896961.db2.gz FWHDGXPNQLRQNU-QMMMGPOBSA-N -1 3 225.292 2.131 10 0 BEAEHM CC[C@](C)(N)c1nc(-c2cccs2)cc(=O)[n-]1 ZINC000071372504 398147724 /nfs/dbraw/zinc/14/77/24/398147724.db2.gz UFWAIXYMBNFHNX-LBPRGKRZSA-N -1 3 249.339 2.082 10 0 BEAEHM C[C@H]1CN[C@H](c2ccc([O-])c(F)c2)S1 ZINC000232448131 398179074 /nfs/dbraw/zinc/17/90/74/398179074.db2.gz INOSUDMLJCMQAZ-WKEGUHRASA-N -1 3 213.277 2.255 10 0 BEAEHM C[C@H]1CN[C@@H](c2ccc([O-])c(F)c2)S1 ZINC000232448127 398179252 /nfs/dbraw/zinc/17/92/52/398179252.db2.gz INOSUDMLJCMQAZ-QUBYGPBYSA-N -1 3 213.277 2.255 10 0 BEAEHM CCCN(C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163628116 538929630 /nfs/dbraw/zinc/92/96/30/538929630.db2.gz GLJYYCBDYKKIJK-UHFFFAOYSA-N -1 3 225.263 2.366 10 0 BEAEHM Cc1ccc(-c2c(N)cccc2[O-])nc1 ZINC000095922498 178317756 /nfs/dbraw/zinc/31/77/56/178317756.db2.gz PVIHWXHEYCCSKP-UHFFFAOYSA-N -1 3 200.241 2.345 10 0 BEAEHM Nc1nnc([N-]c2ccccc2Cl)o1 ZINC000216007720 342729108 /nfs/dbraw/zinc/72/91/08/342729108.db2.gz HYCMENSYYQLYRF-UHFFFAOYSA-N -1 3 210.624 2.049 10 0 BEAEHM CCC(=O)Nc1ccc([O-])c(NC(=O)CC)c1 ZINC000008190034 342796667 /nfs/dbraw/zinc/79/66/67/342796667.db2.gz NWIDHNBRMXBXOI-UHFFFAOYSA-N -1 3 236.271 2.089 10 0 BEAEHM O=c1[n-]cncc1-c1sccc1Cl ZINC000229973265 342861938 /nfs/dbraw/zinc/86/19/38/342861938.db2.gz FRHYJMBVPSJKJG-UHFFFAOYSA-N -1 3 212.661 2.152 10 0 BEAEHM O=C(Oc1ccc(O)cc1)c1ccc([O-])cc1 ZINC000033949338 343262938 /nfs/dbraw/zinc/26/29/38/343262938.db2.gz OQBPCYUKFSJTDU-UHFFFAOYSA-N -1 3 230.219 2.317 10 0 in-vitro BEAEHM Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1F ZINC000042401084 343436237 /nfs/dbraw/zinc/43/62/37/343436237.db2.gz NOXABLGQPZFBDR-UHFFFAOYSA-N -1 3 244.269 2.373 10 0 BEAEHM O=c1cc(-c2ccc(Br)o2)nc[n-]1 ZINC000409429993 343807137 /nfs/dbraw/zinc/80/71/37/343807137.db2.gz KIFXSHSWAAGWCV-UHFFFAOYSA-N -1 3 241.044 2.205 10 0 BEAEHM CCOC(=O)c1cc(C#N)c(CC)cc1[O-] ZINC000396144074 344617514 /nfs/dbraw/zinc/61/75/14/344617514.db2.gz OHUUMBLKAYTQFB-UHFFFAOYSA-N -1 3 219.240 2.003 10 0 BEAEHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1cccs1 ZINC000227624271 344672650 /nfs/dbraw/zinc/67/26/50/344672650.db2.gz VSFBHOMWAWDIKF-PSASIEDQSA-N -1 3 225.313 2.358 10 0 BEAEHM [O-]C(=Cc1ccccc1F)c1csnn1 ZINC000158591034 344689738 /nfs/dbraw/zinc/68/97/38/344689738.db2.gz XJABCCIJLYYDRU-UHFFFAOYSA-N -1 3 222.244 2.103 10 0 BEAEHM Cc1cccc(=N[N-]C(=O)OC(C)(C)C)[nH]1 ZINC000141929121 537865275 /nfs/dbraw/zinc/86/52/75/537865275.db2.gz FEQVWGXODQNVMR-UHFFFAOYSA-N -1 3 223.276 2.242 10 0 BEAEHM CC(C)(Cc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000408494361 345377238 /nfs/dbraw/zinc/37/72/38/345377238.db2.gz GHXRKHTYPVXLPK-UHFFFAOYSA-N -1 3 236.706 2.373 10 0 BEAEHM CC(C)(Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000408494361 345377240 /nfs/dbraw/zinc/37/72/40/345377240.db2.gz GHXRKHTYPVXLPK-UHFFFAOYSA-N -1 3 236.706 2.373 10 0 BEAEHM CC(C)(C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000095139839 345682378 /nfs/dbraw/zinc/68/23/78/345682378.db2.gz OFNYBQZUXWJSOF-UHFFFAOYSA-N -1 3 235.316 2.152 10 0 BEAEHM CC(C)(C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000095139839 345682379 /nfs/dbraw/zinc/68/23/79/345682379.db2.gz OFNYBQZUXWJSOF-UHFFFAOYSA-N -1 3 235.316 2.152 10 0 BEAEHM COc1ccc2cc(-c3nnn[n-]3)ccc2c1 ZINC000095192093 345683416 /nfs/dbraw/zinc/68/34/16/345683416.db2.gz RELFMOVQSYSVRY-UHFFFAOYSA-N -1 3 226.239 2.029 10 0 BEAEHM COc1ccc2cc(-c3nn[n-]n3)ccc2c1 ZINC000095192093 345683419 /nfs/dbraw/zinc/68/34/19/345683419.db2.gz RELFMOVQSYSVRY-UHFFFAOYSA-N -1 3 226.239 2.029 10 0 BEAEHM Clc1cccc(Cl)c1CCc1nnn[n-]1 ZINC000095218459 345684235 /nfs/dbraw/zinc/68/42/35/345684235.db2.gz VQPLUTPOCUQDFM-UHFFFAOYSA-N -1 3 243.097 2.292 10 0 BEAEHM Clc1cccc(Cl)c1CCc1nn[n-]n1 ZINC000095218459 345684237 /nfs/dbraw/zinc/68/42/37/345684237.db2.gz VQPLUTPOCUQDFM-UHFFFAOYSA-N -1 3 243.097 2.292 10 0 BEAEHM C[C@H](Sc1ncc([O-])c(=O)[nH]1)c1ccccc1 ZINC000206349232 345757952 /nfs/dbraw/zinc/75/79/52/345757952.db2.gz WSESDAQWBWEVGB-QMMMGPOBSA-N -1 3 248.307 2.329 10 0 BEAEHM Nc1c([O-])cc(Cl)cc1Br ZINC000034579845 347087536 /nfs/dbraw/zinc/08/75/36/347087536.db2.gz WNGKKOGQYGZQFO-UHFFFAOYSA-N -1 3 222.469 2.390 10 0 BEAEHM Cc1cccc(C(=O)[O-])c1OCCN1CCCC1 ZINC000037729697 179025893 /nfs/dbraw/zinc/02/58/93/179025893.db2.gz ATWGFOWNNGRWAD-UHFFFAOYSA-N -1 3 249.310 2.168 10 0 BEAEHM [O-]C(=Cc1cccs1)c1cnns1 ZINC000159291489 346415791 /nfs/dbraw/zinc/41/57/91/346415791.db2.gz OSJVDQYBGVEXEB-UHFFFAOYSA-N -1 3 210.283 2.025 10 0 BEAEHM CC(C)N1CCc2c(C(=O)[O-])csc2C1 ZINC000149123809 346554949 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/nfs/dbraw/zinc/64/25/88/173642588.db2.gz DXJZIKGYUDYQQD-UHFFFAOYSA-N -1 3 216.236 2.261 10 0 BEAEHM COC(=O)c1ccc(F)c(-c2ncccc2[O-])c1 ZINC000065339494 173880134 /nfs/dbraw/zinc/88/01/34/173880134.db2.gz OXINYUCKFWMINC-UHFFFAOYSA-N -1 3 247.225 2.380 10 0 BEAEHM COc1ccc(C(C)C)cc1[C@@](C)(N)C(=O)[O-] ZINC000003677113 175069116 /nfs/dbraw/zinc/06/91/16/175069116.db2.gz ZIFNFNYWDFPHOF-CYBMUJFWSA-N -1 3 237.299 2.077 10 0 BEAEHM COc1ccc(Cl)cc1[C@@H](N)CCC(=O)[O-] ZINC000057955804 175122044 /nfs/dbraw/zinc/12/20/44/175122044.db2.gz WBPWGLHCXVEQNG-VIFPVBQESA-N -1 3 243.690 2.213 10 0 BEAEHM COc1ccc(Cl)cc1[C@H](N)CCC(=O)[O-] ZINC000057955803 175122708 /nfs/dbraw/zinc/12/27/08/175122708.db2.gz WBPWGLHCXVEQNG-SECBINFHSA-N -1 3 243.690 2.213 10 0 BEAEHM COc1ccc([O-])c(C(=O)N2C[C@@H]3CC[C@H]2C3)c1 ZINC000042266489 175158210 /nfs/dbraw/zinc/15/82/10/175158210.db2.gz HDPMXPPZZOTQIX-ZJUUUORDSA-N -1 3 247.294 2.025 10 0 BEAEHM COc1cccc2c(O)cc(C(C)=O)c([O-])c12 ZINC000038254688 175299872 /nfs/dbraw/zinc/29/98/72/175299872.db2.gz WJLUOLVLSLETQA-UHFFFAOYSA-N -1 3 232.235 2.462 10 0 BEAEHM C[C@H](c1ccccc1F)N(C)[C@@H](C)C(=O)[O-] ZINC000062015326 175623653 /nfs/dbraw/zinc/62/36/53/175623653.db2.gz PACQKHREJMBCIQ-BDAKNGLRSA-N -1 3 225.263 2.292 10 0 BEAEHM C[C@@H]1CCC(C(=O)C(F)(F)F)=C([O-])C1 ZINC000100196943 176194954 /nfs/dbraw/zinc/19/49/54/176194954.db2.gz ULAJSLQTYJJGEJ-PHDIDXHHSA-N -1 3 208.179 2.123 10 0 BEAEHM C[C@@H]1CCC(C(=O)C(F)(F)F)=C([O-])C1 ZINC000100196936 176218720 /nfs/dbraw/zinc/21/87/20/176218720.db2.gz ULAJSLQTYJJGEJ-RITPCOANSA-N -1 3 208.179 2.123 10 0 BEAEHM C[C@H]1CCCCN1C(=O)c1ccc([O-])cc1 ZINC000019837090 177074338 /nfs/dbraw/zinc/07/43/38/177074338.db2.gz MIWIOBXJABIOLT-JTQLQIEISA-N -1 3 219.284 2.407 10 0 BEAEHM C[C@@H]1C[C@@H](C)CCN1Cc1cccnc1C(=O)[O-] ZINC000062753005 177165034 /nfs/dbraw/zinc/16/50/34/177165034.db2.gz BVQGRZSWLJSRPA-WDEREUQCSA-N -1 3 248.326 2.400 10 0 BEAEHM CCc1noc(C)c1[N-]C(=O)c1cscn1 ZINC000132680603 323015996 /nfs/dbraw/zinc/01/59/96/323015996.db2.gz CTCKZCXHOBOMSD-UHFFFAOYSA-N -1 3 237.284 2.254 10 0 BEAEHM C[C@@H](C(=O)Nc1ccccc1[O-])C1CCOCC1 ZINC000129269078 324933004 /nfs/dbraw/zinc/93/30/04/324933004.db2.gz JQRDQFLSIALPRH-SNVBAGLBSA-N -1 3 249.310 2.393 10 0 BEAEHM CCc1cc(C(=O)[N-]c2nc(C)no2)oc1CC ZINC000135043961 325390289 /nfs/dbraw/zinc/39/02/89/325390289.db2.gz DHKDIKMZTBQPNT-UHFFFAOYSA-N -1 3 249.270 2.348 10 0 BEAEHM CCc1c/c(=N\[O-])oc2cc(OC)ccc12 ZINC000032500159 523729303 /nfs/dbraw/zinc/72/93/03/523729303.db2.gz DFOJLYJQLISPKT-OUKQBFOZSA-N -1 3 219.240 2.294 10 0 BEAEHM CC1(C)C[C@H]1C(=O)C=C([O-])C(F)(F)F ZINC000397675608 583105908 /nfs/dbraw/zinc/10/59/08/583105908.db2.gz KJGOTASYDPVANX-YFKPBYRVSA-N -1 3 208.179 2.123 10 0 BEAEHM CC1(C)C[C@H]1C([O-])=CC(=O)C(F)(F)F ZINC000397675608 583105910 /nfs/dbraw/zinc/10/59/10/583105910.db2.gz KJGOTASYDPVANX-YFKPBYRVSA-N -1 3 208.179 2.123 10 0 BEAEHM CC(C)=CCCC(C)=CCNC(=O)c1cn[n-]n1 ZINC000096833113 644840816 /nfs/dbraw/zinc/84/08/16/644840816.db2.gz QEDYHYICLOBEMG-XFFZJAGNSA-N -1 3 248.330 2.227 10 0 BEAEHM